Ecosyste.ms: Papers

10.1016/j.heliyon.2020.e03639

Quantum modelling and molecular docking evaluation of some selected quinoline derivatives as anti-tubercular agents
Cited by: 21
Author(s): Shola Elijah Adeniji, Gideon Adamu Shallangwa, David Ebuka Arthur, Mustapha Abdullahi, Abdelaziz Mahmoud, Abdurrashid Haruna
Software Mentions: 1
Published: over 4 years ago

10.1016/j.heliyon.2019.e01279

A new Mycobacterium leprae dihydropteroate synthase variant (V39I) from Papua, Indonesia
Cited by: 7
Author(s): Yustinus Maladan, Hana Krismawati, Hotma Martogi Lorensi Hutapea, Antonius Oktavian, Ratu Fatimah, Widodo Widodo
Software Mentions: 1
Published: over 5 years ago

10.1016/j.heliyon.2019.e02526

Extracellular binding of indinavir to matrix metalloproteinase-2 and the alpha-7-nicotinic acetylcholine receptor: implications for use in cancer treatment
Cited by: 3
Author(s): Anna H. Lee, Erin Saito, Sean Ekins, Aaron McMurtray
Software Mentions: 1
Published: about 5 years ago

10.1016/j.heliyon.2020.e04642

Virtual screening, molecular docking studies and DFT calculations of FDA approved compounds similar to the non-nucleoside reverse transcriptase inhibitor (NNRTI) efavirenz
Cited by: 39
Author(s): Maryam Amra Jordaan, Oluwakemi Ebenezer, Nkululeko Damoyi, Michael Shapi
Software Mentions: 1
Published: over 4 years ago

10.1016/j.heliyon.2018.e00956

Relationship between HIV integrase polymorphisms and integrase inhibitor susceptibility: An in silico analysis
Cited by: 3
Author(s): Hotma Martogi Lorensi Hutapea, Yustinus Maladan, Widodo Widodo
Software Mentions: 1
Published: almost 6 years ago

10.3390/antiox9111149

Alpha-Glucosidase and Alpha-Amylase Inhibitory Activities, Molecular Docking, and Antioxidant Capacities of Salvia aurita Constituents
Cited by: 22
Author(s): Ninon G. E. R. Etsassala, Jelili A. Badmus, Jeanine L. Marnewick, Emmanuel I. Iwuoha, Felix Nchu, Ahmed A. Hussein
Software Mentions: 1
Published: about 4 years ago

10.1155/2020/3027618

Synthesis and Characterisation of a Monolithic Imprinted Column Using a Methacrylic Acid Monomer with Porogen Propanol for Atenolol Analysis
Cited by: 7
Author(s): Aliya Nur Hasanah, Firdha Senja Maelaningsih, Fadli Apriliandi, Akhmad Sabarudin
Software Mentions: 1
Published: over 4 years ago

10.1155/2021/5525173

Impact of Different Extraction Methods on Furanosesquiterpenoids Content and Antibacterial Activity of Commiphora myrrha Resin
Cited by: 3
Author(s): Ali S. Alqahtani, Rashed N. Herqash, Omar M. Noman, Tabish Rehman, Abdelaaty A. Shahat, Mohamed F. Alajmi, Fahd A. Nasr
Software Mentions: 1
Published: over 3 years ago

10.3390/jcm7080226

Antimycobacterial, Enzyme Inhibition, and Molecular Interaction Studies of Psoromic Acid in Mycobacterium tuberculosis: Efficacy and Safety Investigations
Cited by: 11
Author(s): Sherif T. S. Hassan, Miroslava Šudomová, Kateřina Berchová‐Bímová, Shanmugaraj Gowrishankar, Kannan R.R. Rengasamy
Software Mentions: 1
Published: over 6 years ago

10.3390/jcm7090283

In Vitro Study of Multi-Therapeutic Properties of Thymus bovei Benth. Essential Oil and Its Main Component for Promoting Their Use in Clinical Practice
Cited by: 21
Author(s): Sherif T. S. Hassan, Kateřina Berchová‐Bímová, Miroslava Šudomová, Milan Malaník, Karel Šmejkal, Kannan R.R. Rengasamy
Software Mentions: 1
Published: about 6 years ago

10.3390/jcm10102149

Aconitine Neurotoxicity According to Administration Methods
Cited by: 3
Author(s): Ji Yeon Chung, Seung-Jae Lee, Hyuck Jin Lee, Jeong Bin Bong, Chan-Hyuk Lee, Byoung‐Soo Shin, Hyun Goo Kang
Software Mentions: 1
Published: over 3 years ago

10.3390/antiox10071081

Chemical Composition, In Vitro and In Silico Antioxidant Potential of Melissa officinalis subsp. officinalis Essential Oil
Cited by: 21
Author(s): Matilda Rădulescu, Călin Jianu, Alexandra Teodora Lukinich-Gruia, Marius Mioc, Alexandra Mioc, Codruța Șoica, Loredana Gabriela Stana
Software Mentions: 1
Published: over 3 years ago

10.1080/21556660.2020.1734010

Virtual screening for potential inhibitors of β(1,3)-D-glucan synthase as drug candidates against fungal cell wall
Cited by: 7
Author(s): Zinat Farhadi, Tayebeh Farhadi, Seyed Mohammadreza Hashemian
Software Mentions: 1
Published: almost 5 years ago

10.3390/jpm11090888

Analysis of SYK Gene as a Prognostic Biomarker and Suggested Potential Bioactive Phytochemicals as an Alternative Therapeutic Option for Colorectal Cancer: An In-Silico Pharmaco-Informatics Investigation
Cited by: 12
Author(s): Partha Biswas, Dipta Dey, Atikur Rahman, Aminul Islam, Tasmina Ferdous Susmi, Md. Abu Kaium, Nazmul Hasan, Motiar Rahman, Shafi Mahmud, Abu Saleh, Priyanka Paul, Rezanur Rahman, Md. Al Saber, Hangyeul Song, Abdur Rahman, Bonglee Kim
Software Mentions: 1
Published: about 3 years ago

10.3390/ijms21082854

The Effects of a Weight-Loss Herbal Formula RCM-107 and Its Eight Individual Ingredients on Glucagon-Like Peptide-1 Secretion—An In Vitro and In Silico Study
Cited by: 6
Author(s): Shiqi Luo, Harsharn Gill, Bryce Feltis, Andrew Hung, Linh Toan Nguyen, George Binh Lenon
Software Mentions: 1
Published: over 4 years ago

10.1038/srep24942

Bioactivity Focus of α-Cyano-4-hydroxycinnamic acid (CHCA) Leads to Effective Multifunctional Aldose Reductase Inhibitors
Cited by: 7
Author(s): Laitao Zhang, Yi-Fang Li, Shuofeng Yuan, Shijie Zhang, Hao Zheng, Jie Liu, Ping‐Hua Sun, Yijun Gu, Hiroshi Kojima, Ronghai He, Heru Chen
Software Mentions: 1
Published: over 8 years ago

10.1038/srep25396

A potential adjuvant chemotherapeutics, 18β-glycyrrhetinic acid, inhibits renal tubular epithelial cells apoptosis via enhancing BMP-7 epigenetically through targeting HDAC2
Cited by: 19
Author(s): Tran Ma, Cheng Huang, Xiao‐Ming Meng, Xiaofeng Li, Yilong Zhang, Shuai Ji, Jun Li, Min Ye, Hong Liang
Software Mentions: 1
Published: over 8 years ago

10.1038/srep33353

Identification of Doxorubicin as an Inhibitor of the IRE1α-XBP1 Axis of the Unfolded Protein Response
Cited by: 27
Author(s): Dadi Jiang, Connor Lynch, Bruno C. Medeiros, Michaela Liedtke, Rakesh Bam, Arvin B. Tam, Zhifen Yang, Muthuraman Alagappan, Parveen Abidi, Quynh‐Thu Le, Amato J. Giaccia, Nicholas C. Denko, Maho Niwa, Albert C. Koong
Software Mentions: 1
Published: about 8 years ago

10.3390/jpm11020158

Differential Interactome Proposes Subtype-Specific Biomarkers and Potential Therapeutics in Renal Cell Carcinomas
Cited by: 7
Author(s): Aysegul Caliskan, Gizem Gulfidan, Raghu Sinha, Kazım Yalçın Arğa
Software Mentions: 1
Published: over 3 years ago

10.3390/antibiotics9090611

Antimicrobial, Antioxidant, and Antiproliferative Effects of Coronilla minima: An Unexplored Botanical Species
Cited by: 14
Author(s): Claudio Ferrante, Paola Angelini, Roberto Venanzoni, Giancarlo Angeles Flores, Bruno Tirillini, Lucia Recinella, Annalisa Chiavaroli, Luigi Brunetti, Sheila Leone, Simonetta Cristina Di Simone, Maria Chiara Ciferri, Gökhan Zengin, Güneş Ak, Luigi Menghini, Giustino Orlando
Software Mentions: 1
Published: about 4 years ago

10.3390/ijms21176412

The HMOX1 Pathway as a Promising Target for the Treatment and Prevention of SARS-CoV-2 of 2019 (COVID-19)
Cited by: 26
Author(s): Neelu Batra, Cristabelle De Souza, Jyoti Batra, Alan G. Raetz, Aiming Yu
Software Mentions: 1
Published: about 4 years ago

10.1038/s41598-017-16405-2

Pyridoxine dipharmacophore derivatives as potent glucokinase activators for the treatment of type 2 diabetes mellitus
Cited by: 11
Author(s): Mikhail S. Dzyurkevich, Denis A. Babkov, Nikita V. Shtyrlin, Olga Yu. Mayka, Alfiya G. Iksanova, Pavel Vassiliev, Konstantin V. Balakin, Vadim V. Tarasov, George E. Barreto, Yu. G. Shtyrlin, Gjumrakch Aliev
Software Mentions: 1
Published: almost 7 years ago

10.1038/s41598-018-22905-6

Glucose-regulated protein 78 substrate-binding domain alters its conformation upon EGCG inhibitor binding to nucleotide-binding domain: Molecular dynamics studies
Cited by: 27
Author(s): K. R. D. Sagara N. S. Gurusinghe, Aanchal Mishra, Seema Mishra
Software Mentions: 1
Published: over 6 years ago

10.1038/s41598-018-38217-8

Probing the Inhibition of Microtubule Affinity Regulating Kinase 4 by N-Substituted Acridones
Cited by: 47
Author(s): Maria Voura, Parvez Khan, Savvas Thysiadis, Sotirios Katsamakas, Aarfa Queen, Gulam Mustafa Hasan, Sher Ali, Vasiliki Sarli, Md. Imtaiyaz Hassan
Software Mentions: 1
Published: almost 6 years ago

10.3390/ijms21218331

An Odorant Binding Protein (SaveOBP9) Involved in Chemoreception of the Wheat Aphid Sitobion avenae
Cited by: 17
Author(s): Rizwan Ullah, Sundas Rana Quershi, Muhammad Muzammal Adeel, Hazem Abdelnabby, Muhammad Irfan Waris, Shuang‐Gang Duan, Man‐Qun Wang
Software Mentions: 1
Published: about 4 years ago

10.3390/ijms21249734

Exploring the Conformation and Thermal Stability of Human Serum Albumin Corona of Ferrihydrite Nanoparticles
Cited by: 11
Author(s): Claudia G. Chilom, Adriana Bălan, Nicoleta Sandu, M. Bălășoiu, S. V. Stolyar, O.L. Orelovich
Software Mentions: 1
Published: almost 4 years ago

10.3390/ijms21249740

Caffeic and Chlorogenic Acids Synergistically Activate Browning Program in Human Adipocytes: Implications of AMPK- and PPAR-Mediated Pathways
Cited by: 26
Author(s): Liliya V. Vasileva, Martina S. Savova, Kristiana M. Amirova, Zhivka P. Balcheva-Sivenova, Claudio Ferrante, Giustino Orlando, Martin Wabitsch, Milen I. Georgiev
Software Mentions: 1
Published: almost 4 years ago

10.1038/s41598-019-55069-y

A prospective compound screening contest identified broader inhibitors for Sirtuin 1
Cited by: 13
Author(s): Shuntaro Chiba, Masahito Ohue, Anastasiia Gryniukova, Petro Borysko, Sergey Zozulya, Nobuaki Yasuo, Ryunosuke Yoshino, Kazuyoshi Ikeda, Woong‐Hee Shin, Daisuke Kihara, Mitsuo Iwadate, Hideaki Umeyama, Takaaki Ichikawa, Reiji Teramoto, Kun Yi Hsin, Vipul Gupta, Hiroaki Kitano, Mika Sakamoto, Akiko Higuchi, Nobuaki Miura, Kei Yura, Masahiro Mochizuki, C. V. Ramakrishnan, A. Mary Thangakani, D. Velmurugan, M. Michael Gromiha, Itsuo Nakane, Nanako Uchida, Hayase Hakariya, Modong Tan, Hironori Nakamura, Shogo D. Suzuki, Tetsuhide Ito, Masahiro Kawatani, Kentaroh Kudoh, Sakurako Takashina, Kazuki Yamamoto, Yoshitaka Moriwaki, Kazuhiro Oda, Daisuke Kobayashi, Tatsuya Okuno, Shintaro Minami, George Chikenji, Philip Prathipati, Chioko Nagao, Attayeb Mohsen, Mari Ito, Kenji Mizuguchi, Teruki Honma, Takashi Ishida, Takatsugu Hirokawa, Yutaka Akiyama, Masakazu Sekijima
Software Mentions: 1
Published: almost 5 years ago

10.3390/ijms22020688

Anti-Trypanosoma cruzi Activity of Metabolism Modifier Compounds
Cited by: 13
Author(s): Nieves Martínez-Peinado, Clara Martori, Nuria Cortés-Serra, Julian Sherman, Ana Rodrı́guez, Joaquim Gascón, Jordi Alberola, María Jesús Pinazo, Alhelí Rodríguez-Cortés, Julio Alonso-Padilla
Software Mentions: 1
Published: almost 4 years ago

10.1038/s41598-020-60221-0

Virtual screening as a tool to discover new β-haematin inhibitors with activity against malaria parasites
Cited by: 21
Author(s): Ana Carolina C. de Sousa, Jill M. Combrinck, Keletso Maepa, Timothy J. Egan
Software Mentions: 1
Published: over 4 years ago

10.1155/2020/8867407

Enzyme Inhibitory Kinetics and Molecular Docking Studies of Halo-Substituted Mixed Ester/Amide-Based Derivatives as Jack Bean Urease Inhibitors
Cited by: 6
Author(s): Muhammad Abu Rashid, Hummera Rafique, Sadia Roshan, Shazia Shamas, Zafar Iqbal, Zaman Ashraf, Qamar Abbas, Mubashir Hassan, Zia Ur Rahman Qureshi, Muhammad Hassham Hassan Bin Asad
Software Mentions: 1
Published: almost 4 years ago

10.1155/2019/8724824

The Potential of Hibiscus sabdariffa Linn in Inducing Glucagon-Like Peptide-1 via SGLT-1 and GLPR in DM Rats
Cited by: 5
Author(s): Neng Tine Kartinah, Fadilah Fadilah, Ermita Ilyas Ibrahim, Yuliana Suryati
Software Mentions: 1
Published: about 5 years ago

10.1155/2019/4921086

In Vivo, Proteomic, and In Silico Investigation of Sapodilla for Therapeutic Potential in Gastrointestinal Disorders
Cited by: 13
Author(s): Sameen Fatima Ansari, Arif‐ullah Khan, Neelum Gul Qazi, Fawad Ali Shah, Komal Naeem
Software Mentions: 1
Published: almost 5 years ago

10.3390/biomedicines8050132

Brassicasterol with Dual Anti-Infective Properties against HSV-1 and Mycobacterium tuberculosis, and Cardiovascular Protective Effect: Nonclinical In Vitro and In Silico Assessments
Cited by: 9
Author(s): Sherif T. S. Hassan
Software Mentions: 1
Published: over 4 years ago

10.3390/biomedicines9030297

Antitumor Effects of Ursolic Acid through Mediating the Inhibition of STAT3/PD-L1 Signaling in Non-Small Cell Lung Cancer Cells
Cited by: 28
Author(s): Dong Young Kang, Nipin Sp, Lee J, Kyoung‐Jin Jang
Software Mentions: 1
Published: over 3 years ago

10.3390/biom11030385

Luteolin-Fabricated ZnO Nanostructures Showed PLK-1 Mediated Anti-Breast Cancer Activity
Cited by: 23
Author(s): Shiva Prasad Kollur, Shashanka K. Prasad, Sushma Pradeep, Ravindra Veerapur, Sharanagouda S. Patil, Raghavendra G. Amachawadi, Rajendra Prasad S, Ghada Lamraoui, Abdulaziz A. Al‐Kheraif, Abdallah M. Elgorban, Asad Syed, Chandan Shivamallu
Software Mentions: 1
Published: over 3 years ago

10.3390/ijms22041642

Minocycline Impact on Redox Homeostasis of Normal Human Melanocytes HEMn-LP Exposed to UVA Radiation and Hydrogen Peroxide
Cited by: 8
Author(s): Jakub Rok, Zuzanna Rzepka, Mateusz Maszczyk, Artur Beberok, Dorota Wrześniok
Software Mentions: 1
Published: almost 4 years ago

10.3390/biom11020272

Chemical and Bioinformatics Analyses of the Anti-Leishmanial and Anti-Oxidant Activities of Hemp Essential Oil
Cited by: 21
Author(s): Luigi Menghini, Claudio Ferrante, Simone Carradori, Marianna D’Antonio, Giustino Orlando, Francesco Cairone, Stefania Cesa, Antonello Filippi, Caterina Fraschetti, Gökhan Zengin, Güneş Ak, Massimo Tacchini, Kashif Iqbal
Software Mentions: 1
Published: almost 4 years ago

10.1155/2020/6135696

Antimalarial Properties of Isoquinoline Derivative from<i>Streptomyces hygroscopicus</i>subsp. Hygroscopicus: An In Silico Approach
Cited by: 7
Author(s): Rivo Yudhinata Brian Nugraha, Icha Farihah Deniyati Faratisha, Kana Mardhiyyah, Dio Giovanni Ariel, Fitria Febriliani Putri, Nafisatuzzamrudah, Sri Winarsih, Teguh Wahyu Sardjono, Loeki Enggar Fitri
Software Mentions: 1
Published: almost 5 years ago

10.3390/biology10010069

Response of Human Glioblastoma Cells to Vitamin B12 Deficiency: A Study Using the Non-Toxic Cobalamin Antagonist
Cited by: 4
Author(s): Zuzanna Rzepka, Jakub Rok, Mateusz Maszczyk, Artur Beberok, Justyna Magdalena Hermanowicz, Dariusz Pawlak, Dorota Gryko, Dorota Wrześniok
Software Mentions: 1
Published: almost 4 years ago

10.3390/biom10030443

Succinamide Derivatives Ameliorate Neuroinflammation and Oxidative Stress in Scopolamine-Induced Neurodegeneration
Cited by: 43
Author(s): Sumbal Iqbal, Fawad Ali Shah, Komal Naeem, Humaira Nadeem, Sadia Sarwar, Zaman Ashraf, Muhammad Imran, Muhammad Tariq Khan, Tayyaba Anwar, Shupeng Li
Software Mentions: 1
Published: over 4 years ago

10.3390/biom10081148

Phosphate Derivatives of 3-Carboxyacylbetulin: SynThesis, In Vitro Anti-HIV and Molecular Docking Study
Cited by: 10
Author(s): Krzysztof Marciniec, Elwira Chrobak, Aleksandra Dąbrowska, Ewa Bębenek, Monika Kadela-Tomanek, Paweł Pęcak, Stanisław Boryczka
Software Mentions: 1
Published: over 4 years ago

10.3390/biom9090392

A Multi-Biochemical and In Silico Study on Anti-Enzymatic Actions of Pyroglutamic Acid against PDE-5, ACE, and Urease Using Various Analytical Techniques: Unexplored Pharmacological Properties and Cytotoxicity Evaluation
Cited by: 18
Author(s): Miroslava Šudomová, Sherif T. S. Hassan, Haroon Khan, Mahsa Rasekhian, Seyed Mohammad Nabavi
Software Mentions: 1
Published: over 5 years ago

10.3390/biom11020329

Structure-Based Virtual Screening of Tumor Necrosis Factor-α Inhibitors by Cheminformatics Approaches and Bio-Molecular Simulation
Cited by: 12
Author(s): Sobia Ahsan Halim, Almas Gul Sikandari, Ajmal Khan, Abdul Wadood, M. Qaiser Fatmi, René Csuk, Ahmed Al‐Harrasi
Software Mentions: 1
Published: over 3 years ago

10.1042/BSR20203857

Cynaroside inhibits <i>Leishmania donovani</i> UDP-galactopyranose mutase and induces reactive oxygen species to exert antileishmanial response
Cited by: 10
Author(s): Shams Tabrez, Farjana Rahman, Rahmat Ali, Abdulaziz Alouffi, Sajjadul Kadir Akand, Bader Alshehri, Fahdah Ayed Alshammari, Aftab Alam, Mohammed Alaidarous, Saeed Banawas, Abdul Aziz Bin Dukhyil, Abdur Rub
Software Mentions: 1
Published: almost 4 years ago

10.3390/brainsci10100731

1,3,4-Oxadiazole Derivative Attenuates Chronic Constriction Injury Induced Neuropathic Pain: A Computational, Behavioral, and Molecular Approach
Cited by: 6
Author(s): Muhammad Faheem, Shirook M. Ali, Abdul Waheed Khan, Mahboob Alam, Umair Ilyas, Muhammad Zahoor, Muhammad Umar Khayam Sahibzada, Sidra Khalid, Riaz Ullah, Ali S. Alqahtani, Abdulaziz Alqahtani
Software Mentions: 1
Published: about 4 years ago

10.1186/s42269-021-00517-x

In silico identification of compounds from Nigella sativa seed oil as potential inhibitors of SARS-CoV-2 targets
Cited by: 19
Author(s): Chidi Edbert Duru, Ijeoma Akunna Duru, Abayomi Emmanuel Adegboyega
Software Mentions: 1
Published: over 3 years ago

10.3390/md17110641

A Microbiological, Toxicological, and Biochemical Study of the Effects of Fucoxanthin, a Marine Carotenoid, on Mycobacterium tuberculosis and the Enzymes Implicated in Its Cell Wall: A Link Between Mycobacterial Infection and Autoimmune Diseases
Cited by: 14
Author(s): Miroslava Šudomová, Mohammad Ali Shariati, Javier Echeverría, Ioana Berindan‐Neagoe, Seyed Mohammad Nabavi, Sherif T. S. Hassan
Software Mentions: 1
Published: about 5 years ago

10.3390/md19050253

Compounds Identified from Marine Mangrove Plant (Avicennia alba) as Potential Antiviral Drug Candidates against WDSV, an In-Silico Approach
Cited by: 31
Author(s): Mohammed Othman Aljahdali, Mohammad Habibur Rahman Molla, Foysal Ahammad
Software Mentions: 1
Published: over 3 years ago

10.3390/medicina55040085

5-Arylidene(chromenyl-methylene)-thiazolidinediones: Potential New Agents against Mutant Oncoproteins K-Ras, N-Ras and B-Raf in Colorectal Cancer and Melanoma
Cited by: 17
Author(s): Cristina Nastasă, Radu Tamaian, Ovidiu Oniga, Brînduşa Tiperciuc
Software Mentions: 1
Published: over 5 years ago

10.1038/s41598-020-71457-1

In silico analysis predicting effects of deleterious SNPs of human RASSF5 gene on its structure and functions
Cited by: 42
Author(s): Shahadat Hossain, Arpita Singha Roy, Md. Sajedul Islam
Software Mentions: 1
Published: about 4 years ago

10.3390/ijms22062807

A New Family of Benzo[h]Chromene Based Azo Dye: Synthesis, In-Silico and DFT Studies with In Vitro Antimicrobial and Antiproliferative Assessment
Cited by: 12
Author(s): Alaa S. Abd‐El‐Aziz, Azhaar T. Alsaggaf, Eman Assirey, Arshi Naqvi, Rawda M. Okasha, Tarek H. Afifi, Mohamed Hagar
Software Mentions: 1
Published: over 3 years ago

10.3390/molecules24020312

Symmetrical Heterocyclic Cage Skeleton: Synthesis, Urease Inhibition Activity, Kinetic Mechanistic Insight, and Molecular Docking Analyses
Cited by: 15
Author(s): Muhammad Hanif, Fariha Kanwal, Muhammad Rafiq, Mubashir Hassan, Muhammad Mustaqeem, Sung‐Yum Seo, Yunlong Zhang, Changrui Lu, Ting Chen, Muhammad Saleem
Software Mentions: 1
Published: almost 6 years ago

10.3390/molecules25143251

Synthesis and Evaluation of New Coumarin Derivatives as Antioxidant, Antimicrobial, and Anti-Inflammatory Agents
Cited by: 52
Author(s): Hanan M. Alshibl, Ebtehal S. Al‐Abdullah, Mogedda E. Haiba, Hamad M. Alkahtani, Ghada E. A. Awad, Ahlam H. Mahmoud, Bassant M. M. Ibrahim, Ahmed Bari, Alexander Villinger
Software Mentions: 1
Published: over 4 years ago

10.3390/ijms22062888

Biflavonoid-Induced Disruption of Hydrogen Bonds Leads to Amyloid-β Disaggregation
Cited by: 19
Author(s): Peter K. Windsor, Stephen P. Plassmeyer, Dominic S. Mattock, Jonathan C. Bradfield, Erika Y. Choi, Bill R. Miller, Byung Hee Han
Software Mentions: 1
Published: over 3 years ago

10.3390/molecules26175332

New Amino Acid Schiff Bases as Anticancer Agents via Potential Mitochondrial Complex I-Associated Hexokinase Inhibition and Targeting AMP-Protein Kinases/mTOR Signaling Pathway
Cited by: 19
Author(s): Ahmed A. Noser, Aboubakr H. Abdelmonsef, Mohamed El-Naggar, Maha M. Salem
Software Mentions: 1
Published: about 3 years ago

10.1038/s41598-021-81026-9

Comprehensive computational target fishing approach to identify Xanthorrhizol putative targets
Cited by: 17
Author(s): M. Khan Shahid, Ahmad Azfaralariff, Douglas Law, Ahmed Abdulkareem Najm, Siti Aisyah Sanusi, Seng Joe Lim, Yew Hoong Cheah, Shazrul Fazry
Software Mentions: 1
Published: almost 4 years ago

10.1038/s41598-021-83626-x

Structure based pharmacophore modeling, virtual screening, molecular docking and ADMET approaches for identification of natural anti-cancer agents targeting XIAP protein
Cited by: 92
Author(s): F A Dain Md Opo, Mohammed M. Rahman, Foysal Ahammad, Istiak Ahmed, Mohiuddin Ahmed Bhuiyan, Abdullah M. Asiri
Software Mentions: 1
Published: almost 4 years ago

10.3390/molecules26092722

Investigation of Antifungal Properties of Synthetic Dimethyl-4-Bromo-1-(Substituted Benzoyl) Pyrrolo[1,2-a] Quinoline-2,3-Dicarboxylates Analogues: Molecular Docking Studies and Conceptual DFT-Based Chemical Reactivity Descriptors and Pharmacokinetics Evaluation
Cited by: 17
Author(s): Vijayakumar Uppar, Sandeep Chandrashekharappa, Chandan Shivamallu, Sushma Pradeep, Shiva Prasad Kollur, Joaqúın Ortega-Castro, Juan Frau, Norma Flores-Holguı́n, Atiyaparveen I. Basarikatti, Mallikarjun Chougala, Mrudula Mohan M, Govindappa Banuprakash, Jayadev, Katharigatta N. Venugopala, B. P. Nandeshwarappa, Ravindra Veerapur, Abdulaziz A. Al-Kheraif, Abdallah M. Elgorban, Asad Syed, Kiran Kumar Mudnakudu-Nagaraju, Basavaraj Padmashali, Daniel Glossman‐Mitnik
Software Mentions: 1
Published: over 3 years ago

10.6026/97320630013388

Molecular docking based screening of a simulated HIF-1 protein model for potential inhibitors
Cited by: 20
Author(s): M.S. Latha, Madhu Sudhana Saddala
Software Mentions: 1
Published: almost 7 years ago

10.3390/molecules25204780

Synthesis, In Silico and In Vitro Assessment of New Quinazolinones as Anticancer Agents via Potential AKT Inhibition
Cited by: 20
Author(s): Ahmed A. Noser, Mohamed El‐Naggar, Thoria Donia, Aboubakr H. Abdelmonsef
Software Mentions: 1
Published: about 4 years ago

10.3390/molecules22081247

Multifunctional Cinnamic Acid Derivatives
Cited by: 45
Author(s): Aikaterini Peperidou, Eleni Pontiki, Dimitra Hadjipavlou‐Litina, Efstathia Voulgari, Konstantinos Avgoustakis
Software Mentions: 1
Published: over 7 years ago

10.3390/molecules26092626

Effects of Aloe vera Flower Extract and Its Active Constituent Isoorientin on Skin Moisturization via Regulating Involucrin Expression: In Vitro and Molecular Docking Studies
Cited by: 12
Author(s): Rafat Sultana, Hyunsung Park, Eunju Shin, Kyu-Suk Shim, Eunae Cho, Sun Yeou Kim
Software Mentions: 1
Published: over 3 years ago

10.1155/2020/7635291

Botanical Drug Puerarin Promotes Neuronal Survival and Neurite Outgrowth against MPTP/MPP+-Induced Toxicity via Progesterone Receptor Signaling
Cited by: 14
Author(s): Yingke Zhao, Jia Zhao, Xiuying Zhang, Yuanyuan Cheng, Dan Luo, Simon Ming‐Yuen Lee, Lixing Lao, Jianhui Rong
Software Mentions: 1
Published: about 4 years ago

10.6026/97320630013136

Molecular docking analysis of nitisinone with homogentisate 1,2 dioxygenase
Cited by: 1
Author(s): Narges Zolfaghari
Software Mentions: 1
Published: over 7 years ago

10.1038/s41598-021-86141-1

Herb-target virtual screening and network pharmacology for prediction of molecular mechanism of Danggui Beimu Kushen Wan for prostate cancer
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Author(s): Hong Li, Andrew Hung, Angela Wei Hong Yang
Software Mentions: 1
Published: over 3 years ago

10.3390/ijms22126511

Ergosta-7, 9 (11), 22-trien-3β-ol Interferes with LPS Docking to LBP, CD14, and TLR4/MD-2 Co-Receptors to Attenuate the NF-κB Inflammatory Pathway In Vitro and Drosophila
Cited by: 6
Author(s): Wen‐Tsong Hsieh, Min-Hsien Hsu, Wen–Jen Lin, Yi-Cheng Xiao, Ping‐Chiang Lyu, Yi‐Chung Liu, Yueh‐Hsiung Kuo, Jing‐Gung Chung
Software Mentions: 1
Published: over 3 years ago

10.3390/molecules191220197

Multitarget Molecular Hybrids of Cinnamic Acids
Cited by: 19
Author(s): Aikaterini Peperidou, Δωροθέα Καπουκρανίδου, Christos Kontogiorgis, Dimitra Hadjipavlou‐Litina
Software Mentions: 1
Published: almost 10 years ago

10.3390/molecules26185678

Design, Synthesis, and Biochemical Evaluation of New Triazole Derivatives as Aurora-A Kinase Inhibitors
Cited by: 0
Author(s): Omeima Abdullah
Software Mentions: 1
Published: about 3 years ago

10.3390/molecules25051245

Identification of Novel Chemical Entities for Adenosine Receptor Type 2A Using Molecular Modeling Approaches
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Author(s): Kelton L. B. Santos, Jorddy Neves Cruz, Luciane B. Silva, Ryan da Silva Ramos, Moysés F. A. Neto, Cleison C. Lobato, Sirlene S. B. Ota, Franco Henrique Andrade Leite, Rosivaldo S. Borges, Carlos Henrique Tomich de Paula da Silva, Joaquı́n M. Campos, Cleydson Breno Rodrigues dos Santos
Software Mentions: 1
Published: over 4 years ago

10.3390/ani11010206

Multidrug Antimicrobial Resistance and Molecular Detection of mcr-1 Gene in Salmonella Species Isolated from Chicken
Cited by: 14
Author(s): Bashir Uddin, Sakhawat Hossain, Mahmudul Hasan, Mohammad Nurul Alam, Mita Chatterjee Debnath, Ruhena Begum, Sawrab Roy, Ahmed Harun-Al-Rashid, Mitu Chowdhury, Md. Mahfujur Rahman, Md. Mukter Hossain, Fazle Elahi, Mohammed Y.E. Chowdhury, Josef D. Järhult, Mohamed E. El Zowalaty, Syed Sayeem Uddin Ahmed
Software Mentions: 1
Published: almost 4 years ago

10.3390/molecules26061727

Profiling of Potential Antibacterial Compounds of Lactic Acid Bacteria against Extremely Drug Resistant (XDR) Acinetobacter baumannii
Cited by: 3
Author(s): Phui Chyng Yap, Noorfazlin Ayuhan, Jia Jie Woon, Cindy Shuan Ju Teh, Vannajan Sanghiran Lee, Adzzie Shazleen Azman, Sazaly AbuBakar, Hai Yen Lee
Software Mentions: 1
Published: over 3 years ago

10.3390/molecules25184183

Identification of Potential COX-2 Inhibitors for the Treatment of Inflammatory Diseases Using Molecular Modeling Approaches
Cited by: 40
Author(s): Pedro H. F. Araújo, Ryan da Silva Ramos, Jorddy Neves Cruz, Sebastião Gomes Silva, Elenilze F B Ferreira, Lúcio Rocha de Lima, Williams Jorge da Cruz Macêdo, José M. Espejo-Román, Joaquı́n M. Campos, Cleydson Breno Rodrigues dos Santos
Software Mentions: 1
Published: about 4 years ago

10.3390/molecules23020453

Identification of Novel Protein Kinase Receptor Type 2 Inhibitors Using Pharmacophore and Structure-Based Virtual Screening
Cited by: 29
Author(s): Josiane V. Cruz, Moysés F. A. Neto, Luciane B. Silva, Ryan da Silva Ramos, Josivan da Silva Costa, Davi do Socorro Barros Brasil, Cleison C. Lobato, Glauber Vilhena da Costa, José Adolfo Homobono Machado Bittencourt, Carlos Henrique Tomich de Paula da Silva, Franco Henrique Andrade Leite, Cleydson Breno Rodrigues dos Santos
Software Mentions: 1
Published: almost 7 years ago

10.3390/molecules24224092

Structural Analysis, Molecular Modelling and Preliminary Competition Binding Studies of AM-DAN as a NMDA Receptor PCP-Site Fluorescent Ligand
Cited by: 4
Author(s): Sethu Ndzibongwana, Samukelo Ngobese, Ahmad Sayed, Ciniso Shongwe, Simon White-Phillips, Jacques Joubert
Software Mentions: 1
Published: about 5 years ago

10.3390/molecules24050860

Drug-1,3,4-Thiadiazole Conjugates as Novel Mixed-Type Inhibitors of Acetylcholinesterase: Synthesis, Molecular Docking, Pharmacokinetics, and ADMET Evaluation
Cited by: 21
Author(s): Rabail Ujan, Aamer Saeed, Pervaiz Ali Channar, Fayaz Ali Larik, Qamar Abbas, Mohamed F. Alajmi, Hesham R. El‐Seedi, Mahboob Ali Rind, Mubashir Hassan, Hussain Raza
Software Mentions: 1
Published: over 5 years ago

10.3390/molecules26030674

Computational Determination of Potential Multiprotein Targeting Natural Compounds for Rational Drug Design Against SARS-COV-2
Cited by: 23
Author(s): Ziyad Tariq Muhseen, Alaa R. Hameed, Halah M H Al-Hasani, Sajjad Ahmad, Guanglin Li
Software Mentions: 1
Published: almost 4 years ago

10.1038/s41598-021-91010-y

Anticancer drug discovery from Iranian Chrysanthemum cultivars through system pharmacology exploration and experimental validation
Cited by: 4
Author(s): Mahboobeh Hodaei, Mehdi Rahimmalek, Mandana Behbahani
Software Mentions: 1
Published: over 3 years ago

10.3390/molecules23123130

Characterization and Antiproliferative Activity of a Novel 2-Aminothiophene Derivative-β-Cyclodextrin Binary System
Cited by: 10
Author(s): Elayne Barros Ferreira, Walter Ferreira da Silva Júnior, Jonas Gabriel de Oliveira Pinheiro, Aldilane Gonçalves da Fonseca, Telma Maria Araújo Moura Lemos, Hugo Alexandre Oliveira Rocha, Eduardo Pereira de Azevedo, Francisco Jaime Bezerra Mendonça-Júnior, Ádley Antonini Neves de Lima
Software Mentions: 1
Published: almost 6 years ago

10.3390/molecules24213869

Role of L-Type Amino Acid Transporter 1 (LAT1) for the Selective Cytotoxicity of Sesamol in Human Melanoma Cells
Cited by: 6
Author(s): Tarapong Srisongkram, Natthida Weerapreeyakul, Jussi M. Kärkkäinen, Jarkko Rautio
Software Mentions: 1
Published: about 5 years ago

10.3390/molecules25204604

Protease Inhibitory Effect of Natural Polyphenolic Compounds on SARS-CoV-2: An In Silico Study
Cited by: 30
Author(s): Rajveer Singh, Anupam Gautam, Shivani Chandel, Arijit Ghosh, Dhritiman Dey, Syamal Roy, V. Ravichandiran, Dipanjan Ghosh
Software Mentions: 1
Published: about 4 years ago

10.3390/molecules25173853

Identifying Active Compounds and Targets of Fritillariae thunbergii against Influenza-Associated Inflammation by Network Pharmacology Analysis and Molecular Docking
Cited by: 9
Author(s): Minjee Kim, Ki Hoon Park, Young Bong Kim
Software Mentions: 1
Published: about 4 years ago

10.3390/ijms22137034

Interactions of Chemically Synthesized Ferrihydrite Nanoparticles with Human Serum Transferrin: Insights from Fluorescence Spectroscopic Studies
Cited by: 5
Author(s): Claudia G. Chilom, Nicoleta Sandu, Sorina Iftimie, M. Bălășoiu, Andrey Rogachev, O.L. Orelovich, S. V. Stolyar
Software Mentions: 1
Published: over 3 years ago

10.3390/nu10060772

Nobiletin Inhibits CD36-Dependent Tumor Angiogenesis, Migration, Invasion, and Sphere Formation Through the Cd36/Stat3/Nf-Κb Signaling Axis
Cited by: 62
Author(s): Nipin Sp, Dong Young Kang, Doh Hoon Kim, Jong Hwan Park, Hyo Gun Lee, Hye Jee Kim, Pramod Darvin, Yeong‐Min Park, Young Mok Yang
Software Mentions: 1
Published: over 6 years ago

10.3390/molecules24010143

Toward of Safer Phenylbutazone Derivatives by Exploration of Toxicity Mechanism
Cited by: 15
Author(s): Rosivaldo S. Borges, Ivanete Cardoso Palheta, Sirlene S. B. Ota, Roberto B. Morais, Valéria A. Barros, Ryan da Silva Ramos, Raí C. Silva, Josivan da Silva Costa, Carlos Henrique Tomich de Paula da Silva, Joaquı́n M. Campos, Cleydson Breno Rodrigues dos Santos
Software Mentions: 1
Published: almost 6 years ago

10.1016/j.toxcx.2020.100049

Isolation and structural characterization of bioactive compound from Aristolochia sprucei aqueous extract with anti-myotoxic activity
Cited by: 7
Author(s): Isela I. González Rodríguez, Aleff Ferreira Francisco, Leandro S. Moreira-Dill, Aristides Quintero, César L.S. Guimarães, Carlos A. H. Fernandes, Agnes Alessandra Sekijima Takeda, Fernando Berton Zanchi, Cléopatra A.S. Caldeira, Paulo Sérgio Pereira, M.R.M. Fontes, Juliana Pavan Zuliani, Andreimar M. Soares
Software Mentions: 1
Published: about 4 years ago

10.3390/molecules24162912

Psoromic Acid, a Lichen-Derived Molecule, Inhibits the Replication of HSV-1 and HSV-2, and Inactivates HSV-1 DNA Polymerase: Shedding Light on Antiherpetic Properties
Cited by: 19
Author(s): Sherif T. S. Hassan, Miroslava Šudomová, Kateřina Berchová‐Bímová, Karel Šmejkal, Javier Echeverría
Software Mentions: 1
Published: over 5 years ago

10.3390/ijms22179162

Allicin May Promote Reversal of T-Cell Dysfunction in Periodontitis via the PD-1 Pathway
Cited by: 2
Author(s): Shankargouda Patil, Mohammed E. Sayed, Maryam H. Mugri, Khalaf F. Alsharif, Arif Salman, Shilpa Bhandi, Hosam Ali Baeshen, Thodur Madapusi Balaji, Pradeep Kumar Yadalam, Saranya Varadarajan, R Radha, Kamran Habib Awan, Vikrant R Patil, A. Thirumal Raj
Software Mentions: 1
Published: about 3 years ago

10.3390/molecules26195878

Computational Screening of Natural Compounds for Identification of Potential Anti-Cancer Agents Targeting MCM7 Protein
Cited by: 11
Author(s): Mohammad Y. Alshahrani, Kholoud M. Alshahrani, Munazzah Tasleem, Arshiya Akeel, Tahani M. Almeleebia, Irfan Ahmad, Mohammed Asiri, Najla A. Alshahrani, Nadiyah M. Alabdallah, Mοhd Saeed
Software Mentions: 1
Published: about 3 years ago

10.3390/molecules25204691

Bioguided Fractionation of Local Plants against Matrix Metalloproteinase9 and Its Cytotoxicity against Breast Cancer Cell Models: In Silico and In Vitro Study
Cited by: 9
Author(s): Maywan Hariono, Rollando Rollando, Jasson Rhinehard Karamoy, Pandu Hariyono, M. Atmono, Maria Djohan, Wiwy Wiwy, Rina Fajri Nuwarda, Christopher Kurniawan, Nurul Hanim Salin, Habibah A. Wahab
Software Mentions: 1
Published: about 4 years ago

10.3390/molecules26061705

Synthesis, Molecular Docking Studies and In Silico ADMET Screening of New Heterocycles Linked Thiazole Conjugates as Potent Anti-Hepatic Cancer Agents
Cited by: 16
Author(s): Huda R. M. Rashdan, Mohamed El-Naggar, Aboubakr H. Abdelmonsef
Software Mentions: 1
Published: over 3 years ago

10.6026/97320630014482

Molecular docking analysis of Cianidanol from Ginkgo biloba with HER2+ breast cancer target
Cited by: 6
Author(s): Abiodun Julius Arannilewa, Oluwaseun Suleiman Alakanse, Adesola Oluwaseun Adesola, Oluwaseyi Israel Malachi, Ifedayo Michael Obaidu, Emmanuel Ekun Oluwafemi, Emmanuel Damilola Afolayan, Patricia Folakemi Afere, Kayode Abdullateef Ayuba, Tolulope O. Bolarinwa, George Oche Ambrose
Software Mentions: 1
Published: almost 6 years ago

10.3390/antiox10030362

Imperatorin Interferes with LPS Binding to the TLR4 Co-Receptor and Activates the Nrf2 Antioxidative Pathway in RAW264.7 Murine Macrophage Cells
Cited by: 12
Author(s): Mei-Hsuen Huang, Yu‐Hsien Lin, Ping‐Chiang Lyu, Yi‐Chung Liu, Yuan‐Shiun Chang, Jing‐Gung Chung, Wei-Yong Lin, Wen‐Tsong Hsieh
Software Mentions: 1
Published: over 3 years ago

10.1128/mSphere.00082-16

The Response Regulator BfmR Is a Potential Drug Target for Acinetobacter baumannii
Cited by: 63
Author(s): Thomas A. Russo, Akshay Manohar, Janet M. Beanan, Ruth Olson, Ulrike MacDonald, J. Graham, Timothy C. Umland
Software Mentions: 1
Published: over 8 years ago

10.3390/molecules24071237

Metal-Based Scaffolds of Schiff Bases Derived from Naproxen: Synthesis, Antibacterial Activities, and Molecular Docking Studies
Cited by: 4
Author(s): Muhammad Shaheen, Shijian Feng, M Marino Anthony, Muhammad Nawaz Tahir, Mubashir Hassan, Saeed Ahmad, Mudassir Iqbal, Muhammad Saleem, Changrui Lu
Software Mentions: 1
Published: over 5 years ago

10.3390/molecules26154444

Inhibitory Effects of Cucurbitane-Type Triterpenoids from Momordica charantia Fruit on Lipopolysaccharide-Stimulated Pro-Inflammatory Cytokine Production in Bone Marrow-Derived Dendritic Cells
Cited by: 10
Author(s): Thao Quyen Cao, Nguyen Viet Phong, Jang Hoon Kim, Dan Gao, Hoang Le Tuan Anh, Viet Duc Ngo, Le Ba Vinh, Young Sang Koh, Seo Young Yang
Software Mentions: 1
Published: over 3 years ago