Ecosyste.ms: Papers

10.1186/s13073-016-0319-7

Extracting a low-dimensional description of multiple gene expression datasets reveals a potential driver for tumor-associated stroma in ovarian cancer
Cited by: 20
Author(s): Safiye Çelik, Benjamin A. Logsdon, Stephanie L. Battle, Charles W. Drescher, Mara H. Rendi, R. David Hawkins, Su-In Lee
Software Mentions: 5
Published: over 8 years ago

10.1371/journal.pone.0252759

Antimicrobial activity of methanolic extracts of Vernonia cinerea against Xanthomonas oryzae and identification of their compounds using in silico techniques
Cited by: 6
Author(s): Tushar Joshi, Satish Chandra Pandey, Priyanka Maiti, Manish Kumar Tripathi, Ashutosh Paliwal, Mahesha Nand, Priyanka Sharma, Mukesh Samant, Veena Pande, Subhash Chandra
Software Mentions: 5
Published: over 3 years ago

10.1038/s41598-018-34855-0

Safranal induces DNA double-strand breakage and ER-stress-mediated cell death in hepatocellular carcinoma cells
Cited by: 75
Author(s): Ala’a Al-Hrout, Amphun Chaiboonchoe, Basel Khraiwesh, Chandraprabha Murali, Badriya Baig, Raafat El‐Awady, Hamadeh Tarazi, Amnah Alzahmi, David R. Nelson, Yaser E. Greish, Wafaa Ramadan, Kourosh Salehi‐Ashtiani, Amr Amin
Software Mentions: 4
Published: almost 6 years ago

10.1371/journal.pone.0200607

In Silico evaluation and identification of fungi capable of producing endo-inulinase enzyme
Cited by: 9
Author(s): Jayaram Chikkerur, A.K. Samanta, A. Dhali, Atul P. Kolte, Sohini Roy, M. Pratheepa
Software Mentions: 4
Published: over 6 years ago

10.1038/s41598-019-55199-3

Evaluation of binding and inhibition mechanism of dietary phytochemicals with sphingosine kinase 1: Towards targeted anticancer therapy
Cited by: 51
Author(s): Preeti Gupta, Taj Mohammad, Rashmi Dahiya, Sonam Roy, Omar M. Noman, Mohamed F. Alajmi, Afzal Hussain, Md. Imtaiyaz Hassan
Software Mentions: 4
Published: almost 5 years ago

10.1155/2014/402492

Prediction of Epitope-Based Peptides for the Utility of Vaccine Development from Fusion and Glycoprotein of Nipah Virus Using<i>In Silico</i>Approach
Cited by: 38
Author(s): M. Sadman Sakib, Md. Rezaul Islam, A. K. M. Mahbub Hasan, A.H.M. Nurun Nabi
Software Mentions: 3
Published: over 10 years ago

10.3389/fmolb.2020.603983

Identification of the Interactions Interference Between the PH and START Domain of CERT by Limonoid and HPA Inhibitors
Cited by: 1
Author(s): Mariem Ghoula, Axelle Le Marec, Christophe Magnan, Hervé Le Stunff, Olivier Taboureau
Software Mentions: 3
Published: almost 4 years ago

10.1186/s12934-019-1065-5

Asp305Gly mutation improved the activity and stability of the styrene monooxygenase for efficient epoxide production in Pseudomonas putida KT2440
Cited by: 13
Author(s): Chen Tan, Xian Zhang, Zhijing Zhu, Meijuan Xu, Taowei Yang, Tolbert Osire, Shang‐Tian Yang, Zhiming Rao
Software Mentions: 3
Published: almost 6 years ago

10.3390/genes10080564

Investigation of Precise Molecular Mechanistic Action of Tobacco-Associated Carcinogen `NNK´ Induced Carcinogenesis: A System Biology Approach
Cited by: 7
Author(s): Anukriti, Anupam Dhasmana, Swati Uniyal, Pallavi Somvanshi, Uma Bhardwaj, Meenu Gupta, Shafiul Haque, Mohtashim Lohani, Dhruv Kumar, Janne Ruokolainen, Kavindra Kumar Kesari
Software Mentions: 3
Published: over 5 years ago

10.1038/s41598-017-17678-3

Comprehensive analysis of the catalytic and structural properties of a mu-class glutathione s-transferase from Fasciola gigantica
Cited by: 20
Author(s): Jupitara Kalita, Rohit Shukla, Harish Shukla, Kundlik Gadhave, Rajanish Giri, Timir Tripathi
Software Mentions: 3
Published: almost 7 years ago

10.1038/s41598-020-70202-y

Identification and characterization of cytosolic malate dehydrogenase from the liver fluke Fasciola gigantica
Cited by: 6
Author(s): Purna B Chetri, Rohit Shukla, Timir Tripathi
Software Mentions: 3
Published: about 4 years ago

10.1371/journal.pone.0156344

A Novel Phenanthridionone Based Scaffold As a Potential Inhibitor of the BRD2 Bromodomain: Crystal Structure of the Complex
Cited by: 11
Author(s): Shailesh Tripathi, Shruti Mathur, Prashant Deshmukh, R Manjula, Balasundaram Padmanabhan
Software Mentions: 3
Published: over 8 years ago

10.1111/cogs.12581

Children's Acquisition of the English Past-Tense: Evidence for a Single-Route Account From Novel Verb Production Data
Cited by: 12
Author(s): Ryan Blything, Ben Ambridge, Elena Lieven
Software Mentions: 3
Published: almost 7 years ago

10.7554/eLife.22974

Visual field map clusters in human frontoparietal cortex
Cited by: 91
Author(s): Wayne E. Mackey, Jonathan Winawer, Clayton E. Curtis
Software Mentions: 3
Published: over 7 years ago

10.3390/biom10111556

Potential Nutraceutical Properties of Leaves from Several Commonly Cultivated Plants
Cited by: 23
Author(s): Hafsa Amat-ur-Rasool, Fenella Symes, David Tooth, Larissa-Nele Schaffert, Ekramy Elmorsy, Mehboob Ahmed, Shahida Hasnain, Wayne G. Carter
Software Mentions: 2
Published: almost 4 years ago

10.1371/journal.pone.0123996

Novel Non-Peptide Inhibitors against SmCL1 of Schistosoma mansoni: In Silico Elucidation, Implications and Evaluation via Knowledge Based Drug Discovery
Cited by: 5
Author(s): Atif Zafar, Sameena Ahmad, Asim Rizvi, Masood Ahmad
Software Mentions: 2
Published: over 9 years ago

10.3389/fmicb.2021.633489

Gene Expression, Biochemical Characterization of a sn-1, 3 Extracellular Lipase From Aspergillus niger GZUF36 and Its Model-Structure Analysis
Cited by: 4
Author(s): Shuqi Xing, Ruonan Zhu, Kai Cheng, Yangyang Cai, Yuedan Hu, Cuiqin Li, Xuefeng Zeng, Qiujin Zhu, Laping He
Software Mentions: 2
Published: over 3 years ago

10.22099/mbrc.2020.36522.1483

In silico analyzing the molecular interactions of plant-derived inhibitors against E6AP, p53, and c-Myc binding sites of HPV type 16 E6 oncoprotein.
Cited by: 10
Author(s): Farzan Nabati, Mohammad Moradi, Hassan Mohabatkar
Software Mentions: 2
Published: over 4 years ago

10.1038/s41598-018-35559-1

A biophysical study on the mechanism of interactions of DOX or PTX with α-lactalbumin as a delivery carrier
Cited by: 17
Author(s): Behdad Delavari, Fatemeh Mamashli, Bahareh Bigdeli, Atefeh Poursoleiman, Leila Karami, Zahra Zolmajd-Haghighi, Ali Ghasemi, Samaneh Samaei-Daryan, Morteza Hosseini, Thomas Haertlé, Vladimir I. Muronetz, Øyvind Halskau, Ali Akbar Moosavi-Movahedi, Bahram Goliaei, Ali Hossein Rezayan, Ali Akbar Saboury
Software Mentions: 2
Published: almost 6 years ago

10.3390/ma14123274

Synthesis, Spectroscopic, and Theoretical Study of Copper and Cobalt Complexes with Dacarbazine
Cited by: 6
Author(s): Grzegorz Świderski, Ryszard Łaźny, Michał Sienkiewicz, Monika Kalinowska, Renata Świsłocka, Ali Osman Acar, Aleksandra Golonko, Marzena Matejczyk, W. Lewandowski
Software Mentions: 2
Published: over 3 years ago

10.3390/molecules26082370

Promising Antidiabetic and Antimicrobial Agents Based on Fused Pyrimidine Derivatives: Molecular Modeling and Biological Evaluation with Histopathological Effect
Cited by: 20
Author(s): Fatma Bassyouni, Mohammad Tarek, Abeer Salama, Bassant M. M. Ibrahim, Sawsan Salah El Dine, Nemat A. Yassin, Amina Hassanein, Maysa E. Moharam, Mohamed Abdel‐Rehim
Software Mentions: 2
Published: over 3 years ago

10.3390/biomedicines8050119

Discovery of Hordenine as a Potential Inhibitor of Pyruvate Dehydrogenase Kinase 3: Implication in Lung Cancer Therapy
Cited by: 66
Author(s): Saleha Anwar, Taj Mohammad, Anas Shamsi, Aarfa Queen, Shabana Parveen, Suaib Luqman, Gulam Mustafa Hasan, Khalid A. Alamry, Naved Azum, Abdullah M. Asiri, Md. Imtaiyaz Hassan
Software Mentions: 2
Published: over 4 years ago

10.1371/journal.pcbi.1006718

DeepDrug3D: Classification of ligand-binding pockets in proteins with a convolutional neural network
Cited by: 77
Author(s): Limeng Pu, Rajiv Gandhi Govindaraj, Jeffrey Mitchell Lemoine, Hsiao Chun Wu, Michał Bryliński
Software Mentions: 2
Published: almost 6 years ago

10.3390/biom9110740

Molecular Docking Studies of a Cyclic Octapeptide-Cyclosaplin from Sandalwood
Cited by: 20
Author(s): Abheepsa Mishra, Satyahari Dey
Software Mentions: 2
Published: almost 5 years ago

10.6026/97320630013356

Molecular docking analysis of curcumin analogues with COX-2
Cited by: 21
Author(s): Mario Rowan Sohilait, Harno Dwi Pranowo, Winarto Haryadi
Software Mentions: 2
Published: almost 7 years ago

10.7150/thno.34681

New CXCR1/CXCR2 inhibitors represent an effective treatment for kidney or head and neck cancers sensitive or refractory to reference treatments
Cited by: 31
Author(s): Maeva Dufies, Oleksandr Grytsai, Cyril Ronco, Camara Oumar, Damien Ambrosetti, Anaïs Hagege, Julien Parola, Lou Mateo, Marion Ayrault, Sandy Giuliano, Renaud Grépin, Nathalie Lagarde, Matthieu Montès, Patrick Auberger, Luc Demange, Rachid Benhida, Gilles Pagès
Software Mentions: 2
Published: almost 6 years ago

10.1152/jn.00359.2012

Implicit representations of luminance and the temporal structure of moving stimuli in multiple regions of human visual cortex revealed by multivariate pattern classification analysis
Cited by: 8
Author(s): Stephen T. Hammett, Andrew T. Smith, Matthew B. Wall, Jonas Larsson
Software Mentions: 2
Published: over 11 years ago

10.1186/s43141-021-00163-w

High-throughput screening of natural compounds and inhibition of a major therapeutic target HsGSK-3β for Alzheimer’s disease using computational approaches
Cited by: 9
Author(s): Rohit Shukla, Tiratha Raj Singh
Software Mentions: 2
Published: over 3 years ago

10.3390/biom10081166

Discovery of Sulfated Small Molecule Inhibitors of Matrix Metalloproteinase-8
Cited by: 8
Author(s): Shravan Morla, Umesh R. Desai
Software Mentions: 2
Published: about 4 years ago

10.3390/biom10050789

MARK4 Inhibited by AChE Inhibitors, Donepezil and Rivastigmine Tartrate: Insights into Alzheimer’s Disease Therapy
Cited by: 66
Author(s): Anas Shamsi, Saleha Anwar, Taj Mohammad, Mohamed F. Alajmi, Afzal Hussain, Tabish Rehman, Gulam Mustafa Hasan, Asimul Islam, Md. Imtaiyaz Hassan
Software Mentions: 2
Published: over 4 years ago

10.1186/s43094-021-00275-7

Virtual screenings of the bioactive constituents of tea, prickly chaff, catechu, lemon, black pepper, and synthetic compounds with the main protease (Mpro) and human angiotensin-converting enzyme 2 (ACE 2) of SARS-CoV-2
Cited by: 4
Author(s): Nazim Uddin Emon, Md. Munsur Alam, Irin Akter, Saima Akhter, Anjuman Ara Sneha, Irtiza, Marufa Afroj, Arifa Munni, Masruba Hossen Chowdhury, Summiya Hossain
Software Mentions: 2
Published: over 3 years ago

10.1186/s40203-015-0014-1

Molecular docking studies on InhA, MabA and PanK enzymes from Mycobacterium tuberculosis of ellagic acid derivatives from Ludwigia adscendens and Trewia nudiflora
Cited by: 13
Author(s): Jamil A. Shilpi, Mohammad Tuhin Ali, Sanjib Saha, Shihab Hasan, Alexander I. Gray, Véronique Seidel
Software Mentions: 2
Published: almost 9 years ago

10.1186/s40203-016-0020-y

In silico proposition to predict cluster of B- and T-cell epitopes for the usefulness of vaccine design from invasive, virulent and membrane associated proteins of C. jejuni
Cited by: 20
Author(s): Tahirah Yasmin, Salma Akter, Mouly Debnath, Akio Ebihara, Tsutomu Nakagawa, A.H.M. Nurun Nabi
Software Mentions: 2
Published: over 8 years ago

10.3390/molecules25040823

Virtual Screening Approach to Identify High-Affinity Inhibitors of Serum and Glucocorticoid-Regulated Kinase 1 among Bioactive Natural Products: Combined Molecular Docking and Simulation Studies
Cited by: 76
Author(s): Taj Mohammad, Shiza Siddiqui, Anas Shamsi, Mohamed F. Alajmi, Afzal Hussain, Asimul Islam, Faizan Ahmad, Md. Imtaiyaz Hassan
Software Mentions: 2
Published: over 4 years ago

10.3390/biomedicines8120629

Detailed Characterization of the Cooperative Binding of Piperine with Heat Shock Protein 70 by Molecular Biophysical Approaches
Cited by: 3
Author(s): Gabriel Zazeri, Ana Paula Ribeiro Povinelli, Marcelo de Freitas Lima, Marinônio Lopes Cornélio
Software Mentions: 2
Published: almost 4 years ago

10.3389/fpsyg.2016.00851

Dissociating Perceptual Confidence from Discrimination Accuracy Reveals No Influence of Metacognitive Awareness on Working Memory
Cited by: 59
Author(s): Jason Samaha, J. Barrett, Andrew D. Sheldon, Joshua J. LaRocque, Bradley R. Postle
Software Mentions: 1
Published: over 8 years ago

10.1080/14756366.2017.1389920

Design, synthesis, and pharmacological evaluation of 2-amino-5-nitrothiazole derived semicarbazones as dual inhibitors of monoamine oxidase and cholinesterase: effect of the size of aryl binding site
Cited by: 29
Author(s): Rohit Tripathi, Vishnu M. Sasi, Sukesh Kumar Gupta, Sairam Krishnamurthy, Senthil Raja Ayyannan
Software Mentions: 1
Published: about 7 years ago

10.1080/14756366.2020.1806259

Discovery of 3,6-disubstituted pyridazines as a novel class of anticancer agents targeting cyclin-dependent kinase 2: synthesis, biological evaluation and in silico insights
Cited by: 37
Author(s): Ahmed Sabt, Wagdy M. Eldehna, Tarfah Al‐Warhi, Ohoud J. Alotaibi, Mahmoud M. Elaasser, Howayda Suliman, Hatem A. Abdel‐Aziz
Software Mentions: 1
Published: almost 5 years ago

10.1038/srep31420

Understanding the structural basis of substrate recognition by Plasmodium falciparum plasmepsin V to aid in the design of potent inhibitors
Cited by: 24
Author(s): R.K. Bedi, Chirag Patel, Vandana Mishra, Huogen Xiao, Rickey Y. Yada, Prasenjit Bhaumik
Software Mentions: 1
Published: about 8 years ago

10.1038/s41598-017-06293-x

Distinct contributions by frontal and parietal cortices support working memory
Cited by: 36
Author(s): Wayne E. Mackey, Clayton E. Curtis
Software Mentions: 1
Published: over 7 years ago

10.1038/s41598-020-69011-0

Topological and system-level protein interaction network (PIN) analyses to deduce molecular mechanism of curcumin
Cited by: 16
Author(s): Anupam Dhasmana, Swati Uniyal, Anukriti, Vivek K. Kashyap, Pallavi Somvanshi, Meenu Gupta, Uma Bhardwaj, Meena Jaggi, Murali M. Yallapu, Shafiul Haque, Subhash C. Chauhan
Software Mentions: 1
Published: over 4 years ago

10.1038/s41598-020-78172-x

Differential impact of endogenous and exogenous attention on activity in human visual cortex
Cited by: 48
Author(s): Laura Dugué, Elisha P. Merriam, David J. Heeger, Marisa Carrasco
Software Mentions: 1
Published: almost 4 years ago

10.1038/s41598-020-79027-1

C-demethylation and 1, 2-amino shift in (E)-2-(1-(3-aminophenyl) ethylidene)hydrazinecarboxamide to (E)-2-(2-aminobenzylidene)hydrazinecarboxamide and their applications
Cited by: 1
Author(s): M. Sennappan, Sinosh Skariyachan, Praveen B. Managutti, Shubha S. Gunaga
Software Mentions: 1
Published: almost 4 years ago

10.1186/s40064-016-2996-5

Halogen-directed drug design for Alzheimer’s disease: a combined density functional and molecular docking study
Cited by: 39
Author(s): A. Rahman, Mohammad Tuhin Ali, Mohammad Mahfuz Ali Khan Shawan, Mohammed G. Sarwar, Mohammad A. K. Khan, Mohammad A. Halim
Software Mentions: 1
Published: about 8 years ago

10.1186/s13046-021-01832-x

Neuropilin 1 and Neuropilin 2 gene invalidation or pharmacological inhibition reveals their relevance for the treatment of metastatic renal cell carcinoma
Cited by: 9
Author(s): Aurore Dumond, Etienne Brachet, Jérôme Durivault, Valérie Vial, Anna K. Puszko, Yves Lepelletier, Christopher Montemagno, Marina Pagnuzzi‐Boncompagni, Olivier Hermine, Christiane Garbay, Nathalie Lagarde, Matthieu Montès, Luc Demange, Renaud Grépin, Gilles Pagès
Software Mentions: 1
Published: almost 4 years ago

10.22037/ijpr.2019.12792.11151

Bioactive Salen-type Schiff Base Transition Metal Complexes as Possible Anticancer Agents.
Cited by: 3
Author(s): Maryam Damercheli, Mahdi Mahdi, Bita Mehravi, Mehdi Shafiee Ardestani
Software Mentions: 1
Published: almost 6 years ago

10.7554/eLife.37241

Stimulus vignetting and orientation selectivity in human visual cortex
Cited by: 33
Author(s): Zvi Roth, David J. Heeger, Elisha P. Merriam
Software Mentions: 1
Published: about 6 years ago

10.3390/ijms20122856

Experimental Approaches and Computational Modeling of Rat Serum Albumin and Its Interaction with Piperine
Cited by: 12
Author(s): Gabriel Zazeri, Ana Paula Ribeiro Povinelli, Marcelo de Freitas Lima, Marinônio Lopes Cornélio
Software Mentions: 1
Published: over 5 years ago

10.3390/ijms22126603

Alleviation of Memory Deficit by Bergenin via the Regulation of Reelin and Nrf-2/NF-κB Pathway in Transgenic Mouse Model
Cited by: 30
Author(s): Bushra Shal, Adnan Khan, Ashraf Ullah Khan, Rahim Ullah, Gowhar Ali, Salman Ul Islam, İhsan Ul Haq, Hussain Ali, Eun Kyoung Seo, Salman Khan
Software Mentions: 1
Published: over 3 years ago

10.18632/oncotarget.16956

Homoharringtonine targets Smad3 and TGF-β pathway to inhibit the proliferation of acute myeloid leukemia cells
Cited by: 21
Author(s): Jian Chen, Qitian Mu, Xia Li, Xiufeng Yin, Mengxia Yu, Jing Jin, Chenying Li, Yile Zhou, Jianchang Zhou, Shanshan Suo, Demin Lu
Software Mentions: 1
Published: over 7 years ago

10.1186/s12859-018-2109-2

Comparative assessment of strategies to identify similar ligand-binding pockets in proteins
Cited by: 34
Author(s): Rajiv Gandhi Govindaraj, Michał Bryliński
Software Mentions: 1
Published: over 6 years ago

10.1186/s12906-021-03402-2

Anti-dengue activity of super critical extract and isolated oleanolic acid of Leucas cephalotes using in vitro and in silico approach
Cited by: 19
Author(s): Samander Kaushik, Lalit Dar, Samander Kaushik, Jaya Parkash Yadav
Software Mentions: 1
Published: about 3 years ago

10.1155/2014/705451

Identification of Potential Herbal Inhibitor of Acetylcholinesterase Associated Alzheimer’s Disorders Using Molecular Docking and Molecular Dynamics Simulation
Cited by: 28
Author(s): Chandrabhan Seniya, Ghulam Jilani Khan, Kuldeep Uchadia
Software Mentions: 1
Published: almost 11 years ago

10.6026/97320630017132

Molecular modelling, docking and dynamics analysis of lipid droplet associated enzyme Ypr147cp from Saccharomyces cerevisiae
Cited by: 0
Author(s): Kishore Sesham, Naresh Kumar Manda
Software Mentions: 1
Published: almost 4 years ago

10.6026/97320630015116

Re-positioning of known drugs for Pim-1 kinase target using molecular docking analysis
Cited by: 8
Author(s): Housna Arrouchi, Wiame Lakhlili, Azeddine Ibrahimi
Software Mentions: 1
Published: over 5 years ago

10.1155/2021/5599773

Synthesis, DNA-Binding, Anticancer Evaluation, and Molecular Docking Studies of Bishomoleptic and Trisheteroleptic Ru-Diimine Complexes Bearing 2-(2-Pyridyl)-quinoxaline
Cited by: 4
Author(s): Sofia Balou, Αθανάσιος Ζαρκαδούλας, Maria Koukouvitaki, Luciano Marchiò, Eleni K. Efthimiadou, Christiana A. Mitsopoulou
Software Mentions: 1
Published: over 3 years ago

10.1155/2016/6817502

Inhibition of DNA Topoisomerase Type II<i>α</i>(TOP2A) by Mitoxantrone and Its Halogenated Derivatives: A Combined Density Functional and Molecular Docking Study
Cited by: 20
Author(s): Abu Saleh, Md. Solayman, Mohammad Mazharol Hoque, Mohammad A. K. Khan, Mohammed G. Sarwar, Mohammad A. Halim
Software Mentions: 1
Published: almost 9 years ago

10.1155/2013/390920

Molecular Dynamic Simulation and Inhibitor Prediction of Cysteine Synthase Structured Model as a Potential Drug Target for Trichomoniasis
Cited by: 10
Author(s): Satendra Singh, Gaurav Sablok, Rohit Farmer, Atul Kumar Singh, Budhayash Gautam, Sunil Kumar
Software Mentions: 1
Published: almost 12 years ago

10.3390/biom10091337

The Cytokine IL-1β and Piperine Complex Surveyed by Experimental and Computational Molecular Biophysics
Cited by: 6
Author(s): Gabriel Zazeri, Ana Paula Ribeiro Povinelli, Marcelo de Freitas Lima, Marinônio Lopes Cornélio
Software Mentions: 1
Published: about 4 years ago

10.1186/s12936-017-1940-7

Identification and characterization of the antiplasmodial activity of Hsp90 inhibitors
Cited by: 17
Author(s): Claribel Murillo-Solano, Chunmin Dong, Cecilia G. Sánchez, J.C. Pizarro
Software Mentions: 1
Published: over 7 years ago

10.3390/molecules25102365

Plectrabarbene, a New Abietane Diterpene from Plectranthus barbatus Aerial Parts
Cited by: 10
Author(s): Nawal M. Al Musayeib, Musarat Amina, Gadah A. Al-Hamoud, Gamal A. Mohamed, Sabrin R. M. Ibrahim, Samah Shabana
Software Mentions: 1
Published: over 4 years ago

10.3390/molecules21080997

Potential Application of p-Coumaric Acid on Differentiation of C2C12 Skeletal Muscle and 3T3-L1 Preadipocytes—An in Vitro and in Silico Approach
Cited by: 33
Author(s): Soundharrajan Ilavenil, Da Hye Kim, Srisesharam Srigopalram, Mariadhas Valan Arasu, Kyung Dong Lee, Jeong Chae Lee, Jong Suk Lee, Renganathan Senthil, Ki Choon Choi
Software Mentions: 1
Published: over 8 years ago

10.3390/molecules25122841

Synthesis and Spectroscopic Analysis of Piperine- and Piperlongumine-Inspired Natural Product Scaffolds and Their Molecular Docking with IL-1β and NF-κB Proteins
Cited by: 10
Author(s): Gabriel Zazeri, Ana Paula Ribeiro Povinelli, Cécile S. Le Duff, Bridget Tang, Marinônio Lopes Cornélio, Alan M. Jones
Software Mentions: 1
Published: over 4 years ago

10.3390/molecules24244589

Identification of High-Affinity Inhibitors of Cyclin-Dependent Kinase 2 Towards Anticancer Therapy
Cited by: 35
Author(s): Taj Mohammad, Sagar Batra, Rashmi Dahiya, Mohammad Hassan Baig, Irfan A. Rather, Jae-June Dong, Imtaiyaz Hassan
Software Mentions: 1
Published: almost 5 years ago

10.3390/molecules24234272

Lipase-Catalyzed Chemoselective Ester Hydrolysis of Biomimetically Coupled Aryls for the Synthesis of Unsymmetric Biphenyl Esters
Cited by: 6
Author(s): Janna Ehlert, Jenny Kronemann, Nadine Zumbrägel, Matthias Preller
Software Mentions: 1
Published: almost 5 years ago

10.3390/pharmaceutics13070976

Drug-Loaded Hydrogels for Intraocular Lenses with Prophylactic Action against Pseudophakic Cystoid Macular Edema
Cited by: 6
Author(s): Nadia Toffoletto, Madalena Salema-Oom, S. Anguiano-Igea, Carmen Alvarez‐Lorenzo, Benilde Saramago, Ana Paula Serro
Software Mentions: 1
Published: over 3 years ago

10.1371/journal.pbio.3000921

Task-related activity in human visual cortex
Cited by: 19
Author(s): Zvi Roth, Minyoung Ryoo, Elisha P. Merriam
Software Mentions: 1
Published: almost 4 years ago

10.1371/journal.pntd.0007419

Predicting and designing therapeutics against the Nipah virus
Cited by: 19
Author(s): Neeladri Sen, Tejashree Rajaram Kanitkar, Ankit Roy, Neelesh Soni, Kaustubh Amritkar, Shreyas Supekar, Sanjana Nair, Gulzar Singh, M.S. Madhusudhan
Software Mentions: 1
Published: almost 5 years ago

10.1371/journal.pone.0211935

Metal based donepezil analogues designed to inhibit human acetylcholinesterase for Alzheimer’s disease
Cited by: 24
Author(s): Md. Junaid, Nazrul Islam, Kamal Hossain, Mujeeb Ullah, Mohammad A. Halim
Software Mentions: 1
Published: over 5 years ago

10.1371/journal.pone.0161894

Computational Analysis of the Ligand Binding Site of the Extracellular ATP Receptor, DORN1
Cited by: 17
Author(s): Kiwamu Tanaka, Yangrong Cao, Sung Hwan Cho, Dong Xu, Gary Stacey
Software Mentions: 1
Published: about 8 years ago

10.1371/journal.pone.0204693

Evidence for the critical role of transmembrane helices 1 and 7 in substrate transport by human P-glycoprotein (ABCB1)
Cited by: 14
Author(s): Andaleeb Sajid, Sabrina Lusvarghi, Eduardo E. Chufán, Suresh V. Ambudkar
Software Mentions: 1
Published: about 6 years ago

10.1371/journal.pone.0231177

Substrate structure and computation guided engineering of a lipase for omega-3 fatty acid selectivity
Cited by: 11
Author(s): Tushar Ranjan Moharana, Nalam Madhusudhana Rao
Software Mentions: 1
Published: over 4 years ago

10.1371/journal.pone.0129248

Naja naja oxiana Cobra Venom Cytotoxins CTI and CTII Disrupt Mitochondrial Membrane Integrity: Implications for Basic Three-Fingered Cytotoxins
Cited by: 42
Author(s): S E Gasanov, Indira H. Shrivastava, Firuz S. Israilov, Aleksandr A. Kim, Kamila A. Rylova, Boris Zhang, Ruben K. Dagda
Software Mentions: 1
Published: over 9 years ago

10.1371/journal.pone.0145780

BAD, a Proapoptotic Protein, Escapes ERK/RSK Phosphorylation in Deguelin and siRNA-Treated HeLa Cells
Cited by: 22
Author(s): Samra Hafeez, Mahwish Urooj, Shamiala Saleem, Zeeshan Gillani, Sumaira Shaheen, Mahmood Husain Qazi, Muhammad Imran Naseer, Zafar Iqbal, Shakeel Ahmed Ansari, Absarul Haque, Muhammad Asif, Manzoor Ahmad Mir, Ali Ashraf, Peter Natesan Pushparaj, Mohammad Sarwar Jamal, Mahmood Rasool
Software Mentions: 1
Published: almost 9 years ago

10.1371/journal.pone.0171433

The scoring bias in reverse docking and the score normalization strategy to improve success rate of target fishing
Cited by: 18
Author(s): Qiyao Luo, Liang Zhao, Jianxing Hu, Hongwei Jin, Zhenming Liu, Liangren Zhang
Software Mentions: 1
Published: over 7 years ago

10.1371/journal.pone.0247170

Genome-wide identification and expression profiling of glutathione S-transferase family under multiple abiotic and biotic stresses in Medicago truncatula L.
Cited by: 21
Author(s): Md. Soyib Hasan, Vishal Singh, Shiful Islam, Md. Sifatul Islam, Raju Ahsan, Amita Kaundal, Tahmina Islam, Ajit Ghosh
Software Mentions: 1
Published: over 3 years ago

10.1016/j.csbj.2021.05.043

Screening of world approved drugs against highly dynamical spike glycoprotein of SARS-CoV-2 using CaverDock and machine learning
Cited by: 10
Author(s): Gaspar Pinto, Ondřej Vávra, Sérgio M. Marques, Jiří Filipovič, David Bednář, Jiřı́ Damborský
Software Mentions: 1
Published: almost 4 years ago

10.12688/f1000research.9151.2

Molecular docking and molecular dynamics simulation study of inositol phosphorylceramide synthase – inhibitor complex in leishmaniasis: Insight into the structure based drug design
Cited by: 8
Author(s): Vineetha Mandlik, Shailza Singh
Software Mentions: 1
Published: about 8 years ago

10.3389/fchem.2019.00709

Fast Screening of Inhibitor Binding/Unbinding Using Novel Software Tool CaverDock
Cited by: 19
Author(s): Gaspar Pinto, Ondřej Vávra, Jiří Filipovič, Jan Štourač, David Bednář, Jiřı́ Damborský
Software Mentions: 1
Published: about 5 years ago

10.3389/fimmu.2017.00264

Fasciola hepatica Immune Regulates CD11c+ Cells by Interacting with the Macrophage Gal/GalNAc Lectin
Cited by: 25
Author(s): Elizabeth Rodríguez, Paula Carasi, Sofía Frigerio, Valeria da Costa, Sandra J. van Vliet, Verónica Noya, Natalie Brossard, Yvette van Kooyk, Juan J. García-Vallejo, Teresa Freire
Software Mentions: 1
Published: over 7 years ago

10.3389/fmolb.2021.619403

Structural and Genomic Insights Into Pyrazinamide Resistance in Mycobacterium tuberculosis Underlie Differences Between Ancient and Modern Lineages
Cited by: 2
Author(s): Tanushree Tunstall, Jody Phelan, Ruth Charlotte Eccleston, Taane G. Clark, Nicholas Furnham
Software Mentions: 1
Published: over 3 years ago

10.3389/fnmol.2021.663649

The P2X7 Receptor Is Involved in Diabetic Neuropathic Pain Hypersensitivity Mediated by TRPV1 in the Rat Dorsal Root Ganglion
Cited by: 7
Author(s): Anhui Wang, Xuguo Shi, Ruoyang Yu, Bao Qiao, Runan Yang, Changshui Xu
Software Mentions: 1
Published: over 3 years ago

10.3389/fphar.2020.01292

Periplocymarin Plays an Efficacious Cardiotonic Role via Promoting Calcium Influx
Cited by: 8
Author(s): Weijing Yun, Qian Lei, Yanyan Cheng, Tao Wen, Ruqiang Yuan, Hu Xu
Software Mentions: 1
Published: about 4 years ago

10.3389/fphys.2018.00928

Baicalin Depresses the Sympathoexcitatory Reflex Induced by Myocardial Ischemia via the Dorsal Root Ganglia
Cited by: 5
Author(s): Lifang Zou, Xinyao Han, Shuangmei Liu, Yingxin Gong, Bing Wu, Zhihua Yi, Hui Liu, Shanhong Zhao, Tianyu Jia, Lin Li, Huilong Yuan, Liran Shi, Chunping Zhang, Yun Gao, Guilin Li, Hong Xu, Shangdong Liang
Software Mentions: 1
Published: over 6 years ago