Ecosyste.ms: Papers

10.3390/ijms21041326

Mechanisms of Action of Cassiae Semen for Weight Management: A Computational Molecular Docking Study of Serotonin Receptor 5-HT2C
Cited by: 8
Author(s): Heidi Yuen, Andrew Hung, Angela Wei Hong Yang, George Binh Lenon
Software Mentions: 2
Published: almost 5 years ago

10.3390/ijms21041523

Discovery of Small-Molecule Activators for Glucose-6-Phosphate Dehydrogenase (G6PD) Using Machine Learning Approaches
Cited by: 10
Author(s): Madhu Sudhana Saddala, Anton Lennikov, Huang Hu
Software Mentions: 2
Published: over 4 years ago

10.3390/ijms21103579

Resveratrol Delivery from Implanted Cyclodextrin Polymers Provides Sustained Antioxidant Effect on Implanted Neural Probes
Cited by: 15
Author(s): Rebecca M Haley, Sean T. Zuckerman, Hassan Dakhlallah, Jeffery R Capadona, Horst A. von Recum, Evon S. Ereifej
Software Mentions: 2
Published: over 4 years ago

10.3390/ijms22115920

Anti-Inflammatory Effect of Auranofin on Palmitic Acid and LPS-Induced Inflammatory Response by Modulating TLR4 and NOX4-Mediated NF-κB Signaling Pathway in RAW264.7 Macrophages
Cited by: 20
Author(s): Hyun Hwangbo, Seon Yeong Ji, Min Yeong Kim, So Young Kim, Hyesook Lee, Gi‐Young Kim, Suhkmann Kim, JaeHun Cheong, You‐Jin Jeon
Software Mentions: 2
Published: over 3 years ago

10.3390/ijms22168581

Targeting Lipocalin-2 in Inflammatory Breast Cancer Cells with Small Interference RNA and Small Molecule Inhibitors
Cited by: 8
Author(s): Ginette S Santiago-Sánchez, Ricardo Noriega-Rivera, Eliud Hernandez O'Farril, Fatma Valiyeva, Blanca I Quiñones-Díaz, Emilly Schlee Villodre, Bisrat G. Debeb, Andrea Rosado-Albacarys, Pablo E. Vivas‐Mejía
Software Mentions: 2
Published: over 3 years ago

10.1186/s12974-018-1060-5

Benefits of VCE-003.2, a cannabigerol quinone derivative, against inflammation-driven neuronal deterioration in experimental Parkinson’s disease: possible involvement of different binding sites at the PPARγ receptor
Cited by: 45
Author(s): Concepción Garcı́a, María Gómez‐Cañas, Sonia Burgaz, Belén Palomares, Yolanda Gómez‐Gálvez, Cristina Palomo-Garo, Sara Campo, Joel Ferrer-Hernández, Carolina Pavicic, Carmen Navarrete, M. Luz Bellido, Moisés Garcı́a-Arencibia, M. Ruth Pazos, Eduardo Muñóz, Javier Fernández‐Ruiz
Software Mentions: 2
Published: almost 7 years ago

10.3390/molecules26154422

Unravelling the Phytochemical Composition and the Pharmacological Properties of an Optimized Extract from the Fruit from Prunus mahaleb L.: From Traditional Liqueur Market to the Pharmacy Shelf
Cited by: 12
Author(s): Giustino Orlando, Annalisa Chiavaroli, Sabrina Adorisio, Domenico Vittorio Delfino, Luigi Brunetti, Lucia Recinella, Sheila Leone, Gökhan Zengin, Alessandra Acquaviva, Paola Angelini, Giancarlo Angeles Flores, Roberto Venanzoni, Simonetta Cristina Di Simone, Francesca Di Corpo, Andrei Mocan, Luigi Menghini, Claudio Ferrante
Software Mentions: 1
Published: over 3 years ago

10.3390/molecules25163755

Cytotoxic and Anti-Plasmodial Activities of Stephania dielsiana Y.C. Wu Extracts and the Isolated Compounds
Cited by: 8
Author(s): James Knockleby, Bruno Pradines, Mathieu Gendrot, Joël Mosnier, Thành Tâm Nguyên, Thị Thúy Trịnh, Hoyun Lee, Phuong Mai Le
Software Mentions: 1
Published: over 4 years ago

10.3390/molecules25041008

In Silico, Ex Vivo and In Vivo Studies of Roflumilast as a Potential Antidiarrheal and Antispasmodic agent: Inhibition of the PDE-4 Enzyme and Voltage-gated Ca++ ion Channels
Cited by: 14
Author(s): Najeeb Ur Rehman, Mohd Nazam Ansari, Abdul Samad
Software Mentions: 1
Published: over 4 years ago

10.3390/molecules19079655

Novel Cinnamic Acid Derivatives as Antioxidant and Anticancer Agents: Design, Synthesis and Modeling Studies
Cited by: 99
Author(s): Eleni Pontiki, Dimitra Hadjipavlou‐Litina, Κonstantinos E. Litinas, George D. Geromichalos
Software Mentions: 1
Published: over 10 years ago

10.3390/ijms221910695

3-Pyridinylidene Derivatives of Chemically Modified Lupane and Ursane Triterpenes as Promising Anticancer Agents by Targeting Apoptosis
Cited by: 5
Author(s): О. Б. Казакова, CodruÈa Èoica, М. С. Бабаев, А. V. Petrova, É. F. Khusnutdinova, А. I. Poptsov, Ioana MacaÈoi, George Andrei Drăghici, Ștefana Avram, Lavinia Vlaia, Alexandra Mioc, Marius Mioc, Cristina Dehelean, Adrian Voicu
Software Mentions: 1
Published: about 3 years ago

10.1186/s43141-020-00066-2

In silico design and molecular docking study of CDK2 inhibitors with potent cytotoxic activity against HCT116 colorectal cancer cell line
Cited by: 11
Author(s): Fabian A. Ikwu, Yusuf Isyaku, Babatunde Samuel Obadawo, Hadiza Lawal Abdulrahman, Samuel Akolade Ajibowu
Software Mentions: 1
Published: about 4 years ago

10.3390/v13061047

A Novel Plasmid DNA-Based Foot and Mouth Disease Virus Minigenome for Intracytoplasmic mRNA Production
Cited by: 6
Author(s): Ploypailin Semkum, Challika Kaewborisuth, Nattarat Thangthamniyom, Sirin Theerawatanasirikul, Chalermpol Lekcharoensuk, Payuda Hansoongnern, Pongrama Ramasoota, Porntippa Lekcharoensuk
Software Mentions: 1
Published: over 3 years ago

10.1186/s43141-020-00085-z

A comprehensive review on promising anti-viral therapeutic candidates identified against main protease from SARS-CoV-2 through various computational methods
Cited by: 38
Author(s): Ekampreet Singh, Rameez Jabeer Khan, Rajat Kumar Jha, Gizachew Muluneh Amera, Monika Jain, Rashmi Singh, Jayaraman Muthukumaran, Amit Kumar Singh
Software Mentions: 1
Published: about 4 years ago

10.1186/s43141-020-00102-1

Homology modeling and molecular docking simulation of some novel imidazo[1,2-a]pyridine-3-carboxamide (IPA) series as inhibitors of Mycobacterium tuberculosis
Cited by: 12
Author(s): Mustapha Abdullahi, Shola Elijah Adeniji, David Ebuka Arthur, Abdurrashid Haruna
Software Mentions: 1
Published: almost 4 years ago

10.3390/antiox10010044

Metabolomic Profile and Antioxidant/Anti-Inflammatory Effects of Industrial Hemp Water Extract in Fibroblasts, Keratinocytes and Isolated Mouse Skin Specimens
Cited by: 30
Author(s): Viviana di Giacomo, Lucia Recinella, Annalisa Chiavaroli, Giustino Orlando, Amelia Cataldi, Monica Rapino, Valentina Di Valerio, Matteo Politi, Marco Daniel Antolini, Alessandra Acquaviva, Francesco Bacchin, Massimo Di Mascio, Sheila Leone, Luigi Brunetti, Luigi Menghini, Simone Carradori, Gökhan Zengin, Güneş Ak, Claudio Ferrante
Software Mentions: 1
Published: almost 4 years ago

10.3390/ph14090880

Elucidating the Effects of Curcumin against Influenza Using In Silico and In Vitro Approaches
Cited by: 5
Author(s): Minjee Kim, Heung‐Jin Choi, Sumin Kim, Lin Woo Kang, Young Bong Kim
Software Mentions: 1
Published: about 3 years ago

10.3390/ph10020050

Chiral Derivatives of Xanthones: Investigation of the Effect of Enantioselectivity on Inhibition of Cyclooxygenases (COX-1 and COX-2) and Binding Interaction with Human Serum Albumin
Cited by: 20
Author(s): Carla Fernandes, Andreia Palmeira, Inês I. Ramos, Carlos Carneiro, Carlos Afonso, Maria Elizabeth Tiritan, Honorina Cidade, Paula C.A.G. Pinto, M. Lúcia M.F.S. Saraiva, Salette Reis, Madalena Pinto
Software Mentions: 1
Published: over 7 years ago

10.3390/ph10010020

Second International Electronic Conference on Medicinal Chemistry (ECMC-2)
Cited by: 2
Author(s): Annie Mayence, Jean Jacques Vanden Eynde
Software Mentions: 1
Published: almost 8 years ago

10.3390/ph11030072

An Antioxidant Potential, Quantum-Chemical and Molecular Docking Study of the Major Chemical Constituents Present in the Leaves of Curatella americana Linn
Cited by: 32
Author(s): Mayara Amoras Teles Fujishima, Nayara Dos Santos Raulino da Silva, Ryan da Silva Ramos, Elenilze F B Ferreira, Kelton L. B. Santos, Carlos Henrique Tomich de Paula da Silva, Jocivânia Oliveira da Silva, Joaquı́n M. Campos, Cleydson Breno Rodrigues dos Santos
Software Mentions: 1
Published: over 6 years ago

10.3390/ph14080721

Quercetin and/or Ascorbic Acid Modulatory Effect on Phenobarbital-Induced Sleeping Mice Possibly through GABAA and GABAB Receptor Interaction Pathway
Cited by: 11
Author(s): Rajib Hossain, Khattab Al-Khafaji, Rasel Ahmed Khan, Chandan Kumar Sarkar, Shahazul Islam, Dipta Dey, Divya Jain, Farhana Faria, Rukaya Akbor, Olubunmi Atolanı, Sonia M. Rodrigues Oliveira, Abolghasem Siyadatpanah, Maria de Lourdes Pereira, Muhammad Torequl Islam
Software Mentions: 1
Published: over 3 years ago

10.3390/ph13100290

Enhancement of α-Mangostin Wound Healing Ability by Complexation with 2-Hydroxypropyl-β-Cyclodextrin in Hydrogel Formulation
Cited by: 10
Author(s): Nasrul Wathoni, Diah Permata Sari, Ine Suharyani, Keiichi Motoyama, Ahmed Fouad Abdelwahab Mohammed, Arief Cahyanto, Marline Abdassah, Muchtaridi Muchtaridi
Software Mentions: 1
Published: about 4 years ago

10.3390/ph14090937

High-Throughput Screening and Molecular Dynamics Simulation of Natural Product-like Compounds against Alzheimer’s Disease through Multitarget Approach
Cited by: 21
Author(s): Danish Iqbal, Tabish Rehman, Abdulaziz Bin Dukhyil, Syed Mohd Danish Rizvi, Mohamed F. Al Ajmi, Bader Alshehri, Saeed Banawas, M. Salman Khan, Wael Alturaiki, Mohammed Alsaweed
Software Mentions: 1
Published: about 3 years ago

10.3390/antibiotics9110819

Pangenome Analysis of Mycobacterium tuberculosis Reveals Core-Drug Targets and Screening of Promising Lead Compounds for Drug Discovery
Cited by: 13
Author(s): Hamza Arshad Dar, Tahreem Zaheer, Nimat Ullah, Syeda Marriam Bakhtiar, Tianyu Zhang, Muhammad Yasir, Esam I. Azhar, Amjad Ali
Software Mentions: 1
Published: about 4 years ago

10.3390/pharmaceutics11090446

Computational Drug Repurposing Algorithm Targeting TRPA1 Calcium Channel as a Potential Therapeutic Solution for Multiple Sclerosis
Cited by: 20
Author(s): Dragoș Paul Mihai, George Mihai Nițulescu, George Ion, Cosmin I Ciotu, Cornel Chiriţă, Simona Negreş
Software Mentions: 1
Published: about 5 years ago

10.3390/pharmaceutics12030275

Affinity Effects on the Release of Non-Conventional Antifibrotics from Polymer Depots
Cited by: 5
Author(s): Nathan A. Rohner, Dung Nguyen, Horst A. von Recum
Software Mentions: 1
Published: over 4 years ago

10.3390/pharmaceutics13060781

Lipophilicity, Pharmacokinetic Properties, and Molecular Docking Study on SARS-CoV-2 Target for Betulin Triazole Derivatives with Attached 1,4-Quinone
Cited by: 25
Author(s): Monika Kadela-Tomanek, Maria Jastrzębska, Krzysztof Marciniec, Elwira Chrobak, Ewa Bębenek, Stanisław Boryczka
Software Mentions: 1
Published: over 3 years ago

10.3390/antibiotics10091062

Syzygium aromaticum Extracts as a Potential Antibacterial Inhibitors against Clinical Isolates of Acinetobacter baumannii: An In-Silico-Supported In-Vitro Study
Cited by: 4
Author(s): Abdelhamed Mahmoud, Magdy Afifi, Fareed El Shenawy, Wesam Salem, Basem H. Elesawy
Software Mentions: 1
Published: about 3 years ago

10.1007/s10637-020-01042-w

A novel ligand of the translationally controlled tumor protein (TCTP) identified by virtual drug screening for cancer differentiation therapy
Cited by: 6
Author(s): Nicolas Fischer, Ean‐Jeong Seo, Sara Abdelfatah, Edmond Fleischer, Anette Klinger, Thomas Efferth
Software Mentions: 1
Published: almost 4 years ago

10.1007/s10637-020-01037-7

Drug repurposing using transcriptome sequencing and virtual drug screening in a patient with glioblastoma
Cited by: 6
Author(s): Mohamed E.M. Saeed, Onat Kadioglu, Henry Johannes Greten, Adem Yıldırım, Katharina Mayr, Frederik Wenz, Frank A. Giordano, Thomas Efferth
Software Mentions: 1
Published: almost 4 years ago

10.22038/ijbms.2018.31261.7536

Computational and pharmacological investigation of novel 1,5-diaryl-1,4-pentadien-3-one derivatives for analgesic, anti-inflammatory and anticancer potential.
Cited by: 0
Author(s): Muhammad Sheraz Tariq, Arif‐ullah Khan, Amber Mahmood Minhas, Édson Rodrigues Filho, Zia Ud Din, Asalm Khan
Software Mentions: 1
Published: almost 6 years ago

10.6026/97320630017356

Molecular docking analysis of furfural and isoginkgetin with heme oxygenase I and PPARγ
Cited by: 2
Author(s): Preetha Santhakumar, Lavanya Prathap, R. Anitha, Selvaraj Jayaraman, M. Jeevitha
Software Mentions: 1
Published: over 3 years ago

10.22038/IJBMS.2019.35595.8488

Pharmacological and computational evaluation of Sapodilla and its constituents for therapeutic potential in hyperactive gastrointestinal disorders.
Cited by: 2
Author(s): Muhammad Bilal Riaz, Arif‐ullah Khan, Neelam Gul Qazi
Software Mentions: 1
Published: almost 5 years ago

10.22037/ijpr.2020.113342.14242

Centrality Analysis of Protein-Protein Interaction Networks and Molecular Docking Prioritize Potential Drug-Targets in Type 1 Diabetes.
Cited by: 7
Author(s): Asma Soofi, Mohammad Taghi Taghizadeh, Seyyed Mohammad Tabatabaei, Mostafa Rezaei Tavirani, Heeva Shakib, Saeed Namaki, Nahid Safari Alighiarloo
Software Mentions: 1
Published: almost 5 years ago

10.1371/journal.pone.0231815

Inhibitory effect of a weight-loss Chinese herbal formula RCM-107 on pancreatic α-amylase activity: Enzymatic and in silico approaches
Cited by: 7
Author(s): Shiqi Luo, George Binh Lenon, Harsharn Gill, Andrew Hung, Daniel A. Dias, Mingdi Li, Linh Toan Nguyen
Software Mentions: 1
Published: over 4 years ago

10.1371/journal.pone.0109185

Computational Prediction and Analysis of Breast Cancer Targets for 6-Methyl-1, 3, 8-Trichlorodibenzofuran
Cited by: 9
Author(s): Kumaraswamy Naidu Chitrala, Y. Suneetha
Software Mentions: 1
Published: about 10 years ago

10.1371/journal.pone.0202630

The porcine odorant-binding protein as molecular probe for benzene detection
Cited by: 12
Author(s): Alessandro Capo, Anna Pennacchio, Antonio Varriale, Sabato D’Auria, Maria Staiano
Software Mentions: 1
Published: about 6 years ago

10.6026/97320630017023

Molecular docking analysis of compounds from Andrographis paniculata with EGFR
Cited by: 2
Author(s): R. Anitha
Software Mentions: 1
Published: almost 4 years ago

10.6026/97320630013042

Virtual screening following rational drug design based approach for introducing new anti amyloid beta aggregation agent
Cited by: 8
Author(s): Garshasb Rigi, Mohammad Vala Ashdar Nakhaei, Hoda Eidipour, Arshia Najimi, Fahimeh Tajik, Niloufar Taher, Kamran Yarahmadi
Software Mentions: 1
Published: over 7 years ago

10.1371/journal.pone.0154278

Novel Anthra[1,2-c][1,2,5]Thiadiazole-6,11-Diones as Promising Anticancer Lead Compounds: Biological Evaluation, Characterization & Molecular Targets Determination
Cited by: 15
Author(s): Ahmed Ali, Yu-Ru Lee, Tsung Chih Chen, Chun-Liang Chen, Chia Chung Lee, Chia Yang Shiau, Chiao–Hsi Chiang, Hsu Shan Huang
Software Mentions: 1
Published: over 8 years ago

10.1371/journal.pone.0157334

Thiophenone Attenuates Enteropathogenic Escherichia coli O103:H2 Virulence by Interfering with AI-2 Signaling
Cited by: 7
Author(s): Ingun Lund Witsø, Håkon Valen, T. Benneche, Anne Aamdal Scheie
Software Mentions: 1
Published: over 8 years ago

10.22037/ijpr.2019.13084.11362

Novel Bi-heterocycles as Potent Inhibitors of Urease and Less Cytotoxic Agents: 3-({5-((2-Amino-1,3-thiazol-4-yl)methyl)-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(un/substituted-phenyl)propanamides.
Cited by: 3
Author(s): Muhammad Athar Abbasi, Muhammad Ramzan, Aziz Ur-Rehman, Sabahat Zahra Siddiqui, Mubashir Hassan, Syed Adnan Alı Shah, Muhammad Ashraf, Muhammad Shahid, Sung‐Yum Seo
Software Mentions: 1
Published: almost 5 years ago

10.6026/97320630013140

Competitive rational inhibitor design to 4-maleylaceto- acetate isomerase
Cited by: 1
Author(s): Narges Zolfaghari
Software Mentions: 1
Published: over 7 years ago

10.6026/97320630017200

Molecular modeling of cornulin (CRNN) for docking with phytocompounds from Justicia adhatoda L.
Cited by: 1
Author(s): Selvaraj Jayaraman, Shazia Fathima Jh, Venkatacalam Sivabalan, Umapathy Vidhya Rekha, Ponnulakshmi Rajagopal, V. Vishnupriya, Malathi Kullappan, Radhika Nalinakumari Sreekandan, Surapaneni Krishna Mohan, Periyasamy Vijayalakshmi
Software Mentions: 1
Published: almost 4 years ago

10.1371/journal.pone.0117663

Relationship between Heat-Labile Enterotoxin Secretion Capacity and Virulence in Wild Type Porcine-Origin Enterotoxigenic Escherichia coli Strains
Cited by: 5
Author(s): Prageeth Wijemanne, Jun Xing, Emil M. Berberov, David B. Marx, David Francis, Rodney A. Moxley
Software Mentions: 1
Published: over 9 years ago

10.6026/97320630012368

Docking-based virtual screening of known drugs against murE of Mycobacterium tuberculosis towards repurposing for TB
Cited by: 13
Author(s): Sridharan Brindha, Jagadish Chandrabose Sundaramurthi, D. Velmurugan, Savariar Vincent, John Joel Gnanadoss
Software Mentions: 1
Published: about 8 years ago

10.1371/journal.pone.0217733

The molecular determinants of R-roscovitine block of hERG channels
Cited by: 11
Author(s): Bryan Cernuda, Christopher Thomas Fernandes, Salma Allam, Matthew Orzillo, Gabrielle Suppa, Zuleen Chia Chang, D. Athanasopoulos, Zafir Buraei
Software Mentions: 1
Published: about 5 years ago

10.3390/cancers12061631

Small Molecule Inhibitors Targeting Gαi2 Protein Attenuate Migration of Cancer Cells
Cited by: 1
Author(s): Silvia Caggia, Subhasish Tapadar, Bocheng Wu, Smrruthi Vaidegi Venugopal, Autumn S. Garrett, Aditi Kumar, Janae S. Stiffend, John S. Davis, Adegboyega K. Oyelere, Shafiq A. Khan
Software Mentions: 1
Published: over 4 years ago

10.3390/cancers12061575

Therapeutic Efficacy of ABN401, a Highly Potent and Selective MET Inhibitor, Based on Diagnostic Biomarker Test in MET-Addicted Cancer
Cited by: 7
Author(s): Joo-Seok Kim, Kyung Eui Park, Yoo-Seong Jeong, YeongMun Kim, Hayeon Park, Jihye Nam, Kyungsoo Jung, Woo Sung Son, Hun Soon Jung, Jong Hwa Lee, Seong Hoon Jeong, Nam Ah Kim, Jae Du Ha, Sung Yun Cho, Yoon‐La Choi, Suk‐Jae Chung, Jun Young Choi, Sung Kyu Hong, Young Kee Shin
Software Mentions: 1
Published: over 4 years ago

10.3390/ijerph16060923

A Molecular Docking Approach to Evaluate the Pharmacological Properties of Natural and Synthetic Treatment Candidates for Use against Hypertension
Cited by: 76
Author(s): Syed Awais Attique, Muhammad Nadeem Hassan, Muhammad Usman, Rana Muhammad Atif, Shahid Mahboob, Khalid A. Al‐Ghanim, Muhammad Bilal, Muhammad Nawaz
Software Mentions: 1
Published: over 5 years ago

10.1038/s41419-019-1768-x

Combined treatment with emodin and a telomerase inhibitor induces significant telomere damage/dysfunction and cell death
Cited by: 13
Author(s): Rui Li, Jing Liu, Shuqing Wang, Yinsong Wang, Tao Zhang, Yang Liu, Xin Geng, Rui Wang
Software Mentions: 1
Published: over 5 years ago

10.3390/cells9112410

Functional Characterization of the N-Acetylmuramyl-l-Alanine Amidase, Ami1, from Mycobacterium abscessus
Cited by: 5
Author(s): Tanja Küssau, Niël van Wyk, Matt D. Johansen, Husam M. A. B. Alsarraf, Aymeric Neyret, Claire Hamela, Kasper K. Sørensen, Mikkel B. Thygesen, Claire Beauvineau, Laurent Kremer, Mickaël Blaise
Software Mentions: 1
Published: about 4 years ago

10.3390/cells9010103

Novel Mechanistic Insight into the Anticancer Activity of Cucurbitacin D against Pancreatic Cancer (Cuc D Attenuates Pancreatic Cancer)
Cited by: 17
Author(s): Mohammed Sikander, Shabnam Malik, Sheema Khan, Sonam Kumari, Neeraj Chauhan, Parvez Κhan, Fathi T. Halaweish, Bhavin Chauhan, Murali M. Yallapu, Meena Jaggi, Subhash C. Chauhan
Software Mentions: 1
Published: almost 5 years ago

10.1186/s13065-018-0507-1

Synthesis, characterization, molecular docking, analgesic, antiplatelet and anticoagulant effects of dibenzylidene ketone derivatives
Cited by: 3
Author(s): Tauqeer Ahmed, Arif‐ullah Khan, Muzaffar Abbass, Édson Rodrigues Filho, Zia Ud Din, Aslam Khan
Software Mentions: 1
Published: almost 6 years ago

10.6026/97320630017206

Molecular docking of alkaloid compounds with the matrix metalloproteinase 2
Cited by: 0
Author(s): Jh Shazia Fathima, Selvaraj Jayaraman, Venkatacalam Sivabalan, Umapathy Vidhya Rekha, Ponnulakshmi Rajagopal, V. Vishnupriya, Malathi Kullappan, Radhika Nalinakumari Sreekandan, Surapaneni Krishna Mohan
Software Mentions: 1
Published: almost 4 years ago

10.17179/excli2016-388

Biological and quantitative-SAR evaluations, and docking studies of (E)-N -benzylidenebenzohydrazide analogues as potential antibacterial agents.
Cited by: 0
Author(s): Mohammad Sayed Alam, Sefat Jebin, Mohammad Mostafizur Rahman, Md. Latiful Bari, Dong‐Ung Lee
Software Mentions: 1
Published: almost 9 years ago

10.17179/excli2016-477

Physicochemical analyses of a bioactive 4-aminoantipyrine analogue - synthesis, crystal structure, solid state interactions, antibacterial, conformational and docking studies.
Cited by: 2
Author(s): Mohammad Sayed Alam, Dong‐Ung Lee
Software Mentions: 1
Published: almost 9 years ago

10.1155/2021/4521843

Network Pharmacology-Based Prediction of Bioactive Compounds and Potential Targets of Wenjing Decoction for Treatment of Endometriosis
Cited by: 3
Author(s): Yunan Liu, Xiaojing Hu, Bei Liu, Yujie Shang, Wenting Xu, Huifang Zhou
Software Mentions: 1
Published: over 3 years ago

10.1155/2015/983951

Identification of a Potential Target of Capsaicin by Computational Target Fishing
Cited by: 9
Author(s): Xuan-Yi Ye, Qing Ling, Shaojun Chen
Software Mentions: 1
Published: almost 10 years ago

10.1186/s40425-019-0705-y

Discovery of low-molecular weight anti-PD-L1 peptides for cancer immunotherapy
Cited by: 65
Author(s): Hao Líu, Zhen Zhao, Li zhang, Yuanke Li, Akshay Jain, Ashutosh Barve, Wei Jin, Yanli Li, John Fetse, Kun Cheng
Software Mentions: 1
Published: about 5 years ago

10.1177/1176934319897596

Synthesis, Characterization, Antibacterial Activity, and Computer-Aided Design of Novel Quinazolin-2,4-dione Derivatives as Potential Inhibitors Against <i>Vibrio cholerae</i>
Cited by: 24
Author(s): Mohamed El‐Naggar, Mahmoud Eldeeb Mohamed, Ahmed M. Mosallam, Wesam Salem, Huda R. M. Rashdan, Aboubakr H. Abdelmonsef
Software Mentions: 1
Published: almost 5 years ago

10.12688/f1000research.26731.1

Bioinformatic study to discover natural molecules with activity against COVID-19
Cited by: 12
Author(s): Sweta Singh, Héctor Flórez
Software Mentions: 1
Published: about 4 years ago

10.1186/s43088-021-00138-3

Interaction of SARS-CoV-2 spike protein with angiotensin converting enzyme inhibitors and selected compounds from the chemical entities of biological interest
Cited by: 2
Author(s): Suleiman Aminu, Mohammed Auwal Ibrahim, Abdullahi Balarabe Sallau
Software Mentions: 1
Published: about 3 years ago

10.1002/fsn3.2407

<i>Ganoderma applanatum</i> mushroom provides new insights into the management of diabetes mellitus, hyperlipidemia, and hepatic degeneration: A comprehensive analysis
Cited by: 8
Author(s): Mohammad Shahadat Hossain, Anik Barua, Mohammad Akramul Hoque Tanim, Mohammad Sharif Hasan, Mohammad Jahedul Islam, Rabiul Hossain, Nazim Uddin Emon, S. M. Moazzem Hossen
Software Mentions: 1
Published: over 3 years ago

10.1002/fsn3.2047

Antidepressant, anxiolytic, antipyretic, and thrombolytic profiling of methanol extract of the aerial part of <i>Piper nigrum</i> : In vivo, in vitro, and in silico approaches
Cited by: 26
Author(s): Nazim Uddin Emon, Safaet Alam, Sajib Rudra, Susmita Roy Riya, Avi Paul, S. M. Moazzem Hossen, Ummay Kulsum, Amlan Ganguly
Software Mentions: 1
Published: almost 4 years ago

10.3390/foods10040815

In Silico and In Vitro Evaluation of the Antimicrobial and Antioxidant Potential of Mentha × smithiana R. GRAHAM Essential Oil from Western Romania
Cited by: 20
Author(s): Călin Jianu, Daniela Stoin, Ileana Cocan, I. Dávid, Georgeta Pop, Alexandra Teodora Lukinich-Gruia, Marius Mioc, Alexandra Mioc, Codruța Șoica, Delia Muntean, Laura-Cristina Rusu, Ionuț Goleț, Delia Ioana Horhat
Software Mentions: 1
Published: over 3 years ago

10.3390/foods10081818

Linking the Phytochemicals and the α-Glucosidase and α-Amylase Enzyme Inhibitory Effects of Nigella sativa Seed Extracts
Cited by: 23
Author(s): Salima Tiji, Mohamed Bouhrim, Mohamed Addi, Samantha Drouet, José M. Lorenzo, Christophe Hano, Mohamed Bnouham, Mostafa Mimouni
Software Mentions: 1
Published: over 3 years ago

10.3389/fchem.2021.679967

Eco-Friendly Synthesis, Biological Evaluation, and In Silico Molecular Docking Approach of Some New Quinoline Derivatives as Potential Antioxidant and Antibacterial Agents
Cited by: 11
Author(s): Ahmed M. M. El‐Saghier, Mohamed El-Naggar, Abdel Haleem M. Hussein, Abu-Bakr A. El-Adasy, M. Olish, Aboubakr H. Abdelmonsef
Software Mentions: 1
Published: over 3 years ago

10.3390/nu12123867

Baicalein, 7,8-Dihydroxyflavone and Myricetin as Potent Inhibitors of Human Ornithine Decarboxylase
Cited by: 5
Author(s): Yun-Chin Liu, Yiliang Liu, Ju-Yi Hsieh, Chang-Hsu Wang, Chih‐Li Lin, Guang‐Yaw Liu, Hui‐Chih Hung
Software Mentions: 1
Published: almost 4 years ago

10.1021/acs.jmedchem.1c00957

Terphenyl-Based Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein–Protein Interaction
Cited by: 35
Author(s): Damian Muszak, Ewa Surmiak, Jacek Plewka, Katarzyna Magiera‐Mularz, Justyna Kocik, Bogdan Musielak, Dominik Sala, Radosław Kitel, Małgorzata Stec, Kazimierz Węglarczyk, Maciej Siedlar, Alexander Dömling, Łukasz Skalniak, Tad A. Holak
Software Mentions: 1
Published: over 3 years ago

10.3389/fchem.2021.642026

Antiviral Essential Oil Components Against SARS-CoV-2 in Pre-procedural Mouth Rinses for Dental Settings During COVID-19: A Computational Study
Cited by: 24
Author(s): Pradeep Kumar Yadalam, Kalaivani Varatharajan, K. Rajapandian, Priyanka Chopra, Deepavalli Arumuganainar, Thilgavathi Nagarathnam, Honglae Sohn, Thirumurthy Madhavan
Software Mentions: 1
Published: over 3 years ago

10.3389/fchem.2020.623971

Identification of Small Molecule Inhibitors of the Deubiquitinating Activity of the SARS-CoV-2 Papain-Like Protease: in silico Molecular Docking Studies and in vitro Enzymatic Activity Assay
Cited by: 41
Author(s): Eleni Pitsillou, Julia Liang, Katherine Ververis, Kah Wai Lim, Andrew Hung, Tom C. Karagiannis
Software Mentions: 1
Published: almost 4 years ago

10.3389/fchem.2019.00862

Heteroleptic Metal Complexes of a Pyrimidinyl Based Schiff Base Ligand Incorporating 2,2′-Bipyridine Moiety: Synthesis, Characterization, and Biological Studies
Cited by: 13
Author(s): Festus Chioma, Sunday N. Okafor, Anthony C. Ekennia
Software Mentions: 1
Published: almost 5 years ago

10.1186/s43088-021-00095-x

Virtual screening of phytochemical compounds as potential inhibitors against SARS-CoV-2 infection
Cited by: 8
Author(s): Ram Kothandan, Cashlin Anna Suveetha Gnana Rajan, Janamitra Arjun, Rejoe Raymond Michael Raj, Sowfia Syed
Software Mentions: 1
Published: almost 4 years ago

10.3389/fimmu.2021.692654

Inhibition of Exosome Release Sensitizes U937 Cells to PEGylated Liposomal Doxorubicin
Cited by: 23
Author(s): Shirin Hekmatirad, Milad Moloudizargari, Ali Akbar Moghadamnia, Sohrab Kazemi, Mousa Mohammadnia‐Afrouzi, Maryam Baeeri, Fatemeh Moradkhani, Mohammad Hossein Asghari
Software Mentions: 1
Published: over 3 years ago

10.3389/fimmu.2020.01664

Identification of SARS-CoV-2 Cell Entry Inhibitors by Drug Repurposing Using in silico Structure-Based Virtual Screening Approach
Cited by: 148
Author(s): Shweta Choudhary, Yashpal Singh Malik, Shailly Tomar
Software Mentions: 1
Published: over 4 years ago

10.3389/fmicb.2019.02762

Clinically Approved Drugs Inhibit the Staphylococcus aureus Multidrug NorA Efflux Pump and Reduce Biofilm Formation
Cited by: 48
Author(s): Saskia Zimmermann, Mareike Klinger-Strobel, Jürgen A. Bohnert, Sindy Wendler, Jürgen Rödel, Mathias W. Pletz, Bettina Löffler, Lorena Tuchscherr
Software Mentions: 1
Published: almost 5 years ago

10.3389/fmicb.2020.571093

Identification of Growth Inhibitors of the Fish Pathogen Saprolegnia parasitica Using in silico Subtractive Proteomics, Computational Modeling, and Biochemical Validation
Cited by: 5
Author(s): Sanjiv Kumar, Rahul Shubhra Mandal, Vincent Bulone, Vaibhav Srivastava
Software Mentions: 1
Published: about 4 years ago

10.1021/acs.jmedchem.1c00962

Combining Electrospray Mass Spectrometry (ESI-MS) and Computational Techniques in the Assessment of G-Quadruplex Ligands: A Hybrid Approach to Optimize Hit Discovery
Cited by: 3
Author(s): Giovanni Ribaudo, Alberto Ongaro, Erika Oselladore, Maurizio Memo, Alessandra Gianoncelli
Software Mentions: 1
Published: about 3 years ago

10.3389/fmolb.2021.637122

In silico Screening of Natural Phytocompounds Towards Identification of Potential Lead Compounds to Treat COVID-19
Cited by: 15
Author(s): Sankar Muthumanickam, Balajee Ramachandran, Pandi Boomi, Mutharasappan Nachiappan, Vidhyavathi Ramasamy, Poorani Gurumallesh Prabu, Shanmugaraj Gowrishankar, Yao Wang, Brintha Muniyandai, Subaskumar Rathinasamy, Balakumar Chandrasekaran, Mohammad F. Bayan, Jeyaraman Jeyakanthan, H. Gurumallesh Prabu, Solomon King Ebenezer
Software Mentions: 1
Published: over 3 years ago

10.3389/fmolb.2020.577316

Rational Drug Design for Pseudomonas aeruginosa PqsA Enzyme: An in silico Guided Study to Block Biofilm Formation
Cited by: 14
Author(s): Bilal Shaker, Sajjad Ahmad, Thi Duc Thai, Seong‐il Eyun, Dokyun Na
Software Mentions: 1
Published: about 4 years ago

10.3389/fmolb.2020.00105

Novel Quinazolin-2,4-Dione Hybrid Molecules as Possible Inhibitors Against Malaria: Synthesis and in silico Molecular Docking Studies
Cited by: 23
Author(s): Aboubakr H. Abdelmonsef, Mahmoud Eldeeb Mohamed, Mohamed El-Naggar, Hussain Temairk, Ahmed M. Mosallam
Software Mentions: 1
Published: over 4 years ago

10.3389/fnmol.2020.00033

NF-κB Inhibitors Attenuate MCAO Induced Neurodegeneration and Oxidative Stress—A Reprofiling Approach
Cited by: 40
Author(s): Awais Ali, Fawad Ali Shah, Alam Zeb, Imran Riaz Malik, Arooj Mohsin Alvi, Lina Tariq Alkury, Sajid Rashid, Ishtiaq Hussain, Najeeb Ullah, Arif Ullah Khan, Phil-Ok Koh, Shupeng Li
Software Mentions: 1
Published: over 4 years ago

10.3389/fphar.2021.667704

Exploring Phytochemicals of Traditional Medicinal Plants Exhibiting Inhibitory Activity Against Main Protease, Spike Glycoprotein, RNA-dependent RNA Polymerase and Non-Structural Proteins of SARS-CoV-2 Through Virtual Screening
Cited by: 25
Author(s): Saranya Nallusamy, Jayakanthan Mannu, C. N. Ravikumar, Kandavelmani Angamuthu, Bharathi Nathan, Kumaravadivel Nachimuthu, R. Gnanam, M. Raveendran, S. Mohankumar, Kumar Neelakandan
Software Mentions: 1
Published: over 3 years ago

10.1186/s12860-021-00371-9

Effect of Voacamine upon inhibition of hypoxia induced fatty acid synthesis in a rat model of methyln-nitrosourea induced mammary gland carcinoma
Cited by: 8
Author(s): Lakhveer Singh, Manjari Singh, Shubham Rastogi, Anurag Choudhary, Deepak Kumar, Ritu Raj, Mohd Nazam Ansari, Abdulaziz S. Saeedan, Gaurav Kaithwas
Software Mentions: 1
Published: over 3 years ago

10.3390/ijms17122151

Synthesis, Bioevaluation and Molecular Dynamic Simulation Studies of Dexibuprofen–Antioxidant Mutual Prodrugs
Cited by: 11
Author(s): Zaman Ashraf, - Alamgeer, Raqiqatur Rasool, Mubashir Hassan, Haseeb Ahsan, Samina Afzal, Khurram Afzal, Hongsik Cho, Song Ja Kim
Software Mentions: 1
Published: almost 8 years ago

10.3389/fphar.2017.00979

Steroidal Pyrimidines and Dihydrotriazines as Novel Classes of Anticancer Agents against Hormone-Dependent Breast Cancer Cells
Cited by: 37
Author(s): Alexander M. Scherbakov, A. V. Komkov, Anna S. Komendantova, Margarita A. Yastrebova, Olga E. Andreeva, Валерий З. Ширинян, Alakananda Hajra, И. В. Заварзин, Yu. A. Volkova
Software Mentions: 1
Published: almost 7 years ago

10.3389/fphar.2020.621538

Carveol a Naturally-Derived Potent and Emerging Nrf2 Activator Protects Against Acetaminophen-Induced Hepatotoxicity
Cited by: 10
Author(s): Zaif Ur Rahman, Lina T. Al Kury, Abdullah Alattar, Zhenghuai Tan, Reem Alshaman, Imran Riaz Malik, Haroon Badshah, Zia Uddin, Atif Ali Khan Khalil, Naveed Muhammad, Saifullah Khan, Amjad Ali, Fawad Ali Shah, Jinbo Li, Shupeng Li
Software Mentions: 1
Published: almost 4 years ago

10.1186/s12906-019-2759-2

Pharmacological and computational evaluation of fig for therapeutic potential in hyperactive gastrointestinal disorders
Cited by: 5
Author(s): Muhammad Bilal Riaz, Arif‐ullah Khan, Neelam Gul Qazi
Software Mentions: 1
Published: almost 5 years ago

10.1186/s13065-019-0631-6

Designing, synthesis and characterization of 2-aminothiazole-4-carboxylate Schiff bases; antimicrobial evaluation against multidrug resistant strains and molecular docking
Cited by: 9
Author(s): Saima Ejaz, Humaira Nadeem, Rehan Zafar Paracha, Sadia Sarwar, Sadaf Ejaz
Software Mentions: 1
Published: about 5 years ago

10.3389/fphar.2021.707507

Anti-Adipogenic Effect of Alchemilla monticola is Mediated Via PI3K/AKT Signaling Inhibition in Human Adipocytes
Cited by: 11
Author(s): Saveta G. Mladenova, Liliya V. Vasileva, Martina S. Savova, Andrey S. Marchev, Daniel Tews, Martin Wabitsch, Claudio Ferrante, Giustino Orlando, Milen I. Georgiev
Software Mentions: 1
Published: over 3 years ago

10.1186/s12974-020-01801-9

Discovery of novel L-type voltage-gated calcium channel blockers and application for the prevention of inflammation and angiogenesis
Cited by: 22
Author(s): Madhu Sudhana Saddala, Anton Lennikov, Anthony Mukwaya, Yan Yang, Michael A. Hill, Neil Lagali, Huang Hu
Software Mentions: 1
Published: over 4 years ago

10.3389/fphar.2020.00919

Computational and Pharmacological Evaluation of Carveol for Antidiabetic Potential
Cited by: 15
Author(s): Muhammad shabir Ahmed, Arif Ullah Khan, Lina T. Al Kury, Fawad Ali Shah
Software Mentions: 1
Published: over 4 years ago

10.1186/s13065-019-0518-6

Synthesis and anti-nociceptive potential of isoxazole carboxamide derivatives
Cited by: 13
Author(s): Bibi Hajira, Humaira Nadeem, Muzaffar Abbas, Muazzam Arif
Software Mentions: 1
Published: almost 6 years ago

10.3390/antibiotics10030334

Comparative Investigation of Composition, Antifungal, and Anti-Inflammatory Effects of the Essential Oil from Three Industrial Hemp Varieties from Italian Cultivation
Cited by: 17
Author(s): Giustino Orlando, Sabrina Adorisio, Domenico Vittorio Delfino, Annalisa Chiavaroli, Luigi Brunetti, Lucia Recinella, Sheila Leone, Marianna D’Antonio, Gökhan Zengin, Alessandra Acquaviva, Mirko Antico, Paola Angelini, Giancarlo Angeles Flores, Roberto Venanzoni, Massimo Tacchini, Simonetta Cristina Di Simone, Luigi Menghini, Claudio Ferrante
Software Mentions: 1
Published: over 3 years ago

10.1155/2018/1018694

QSAR Modeling and Molecular Docking Analysis of Some Active Compounds against<i> Mycobacterium tuberculosis</i> Receptor (Mtb CYP121)
Cited by: 21
Author(s): Shola Elijah Adeniji, Gideon Adamu Shallangwa, Adamu Uzairu
Software Mentions: 1
Published: almost 7 years ago

10.3390/gels6010009

Elucidating the Structure-Function Relationship of Solvent and Cross-Linker on Affinity-Based Release from Cyclodextrin Hydrogels
Cited by: 6
Author(s): Sean T. Zuckerman, Edgardo Rivera-Delgado, Rebecca M Haley, Julius N. Korley, Horst A. von Recum
Software Mentions: 1
Published: over 4 years ago

10.3390/antiox10050792

Chemical Composition and Biological Properties of Two Jatropha Species: Different Parts and Different Extraction Methods
Cited by: 13
Author(s): Gökhan Zengin, Mohamad Fawzi Mahomoodally, Kouadio Ibrahime Sinan, Güneş Ak, Ouattara Katinan Etienne, Jugreet B. Sharmeen, Luigi Brunetti, Sheila Leone, Simonetta Cristina Di Simone, Lucia Recinella, Annalisa Chiavaroli, Luigi Menghini, Giustino Orlando, József Jekö, Zoltán Cziáky, Claudio Ferrante
Software Mentions: 1
Published: over 3 years ago

10.5808/gi.20061

In silico discovery and evaluation of phytochemicals binding mechanism against human catechol-O-methyltransferase as a putative bioenhancer of L-DOPA therapy in Parkinson disease
Cited by: 2
Author(s): Surya Narayan Rath, Lingaraja Jena, Rajabrata Bhuyan, Nimai Charan Mahanandia, Manorama Patri
Software Mentions: 1
Published: over 3 years ago

10.1016/j.heliyon.2019.e02453

The inhibitory effects of an eight-herb formula (RCM-107) on pancreatic lipase: enzymatic, HPTLC profiling and in silico approaches
Cited by: 11
Author(s): Shiqi Luo, Harsharn Gill, Daniel A. Dias, Mingdi Li, Andrew Hung, Linh Toan Nguyen, George Binh Lenon
Software Mentions: 1
Published: about 5 years ago