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David Cabezas, Guido Mellado, Nicolás Espinoza, José Antonio Gárate, César Morales, Alejandro Castro-Alvarez, Maria J. Matos, Marco Mellado & Jaime Mella. (2023) In silico approaches to develop new phenyl-pyrimidines as glycogen synthase kinase 3 (GSK-3) inhibitors with halogen-bonding capabilities: 3D-QSAR CoMFA/CoMSIA, molecular docking and molecular dynamics studies. Journal of Biomolecular Structure and Dynamics 41:22, pages 13250-13259.
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Ifeoluwa Temitayo Oyeyemi, Kayode Ezekiel Adewole & Gideon Ampoma Gyebi. (2023) In silico prediction of the possible antidiabetic and anti-inflammatory targets of Nymphaea lotus-derived phytochemicals and mechanistic insights by molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics 41:21, pages 12225-12241.
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Angélica Nakagawa Lima, Eric Allison Philot, Gustavo Henrique Goulart Trossini, Luis Paulo Barbour Scott, Vinícius Gonçalves Maltarollo & Kathia Maria Honorio. (2016) Use of machine learning approaches for novel drug discovery. Expert Opinion on Drug Discovery 11:3, pages 225-239.
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Articles from other publishers (18)
Manoj Kumar Gupta, Gayatri Gouda, Sumreen Sultana, Shital Manohar Punekar, Ramakrishna Vadde & Tekupalli Ravikiran. 2023.
241
295
.
Shada J. Alabed, Malek Zihlif & Mutasem Taha. (2022) Discovery of new potent lysine specific histone demythelase-1 inhibitors (LSD-1) using structure based and ligand based molecular modelling and machine learning. RSC Advances 12:55, pages 35873-35895.
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Ana Maria Udrea, Gratiela Gradisteanu Pircalabioru, Anca Andreea Boboc, Catalina Mares, Andra Dinache, Maria Mernea & Speranta Avram. (2021) Advanced Bioinformatics Tools in the Pharmacokinetic Profiles of Natural and Synthetic Compounds with Anti-Diabetic Activity. Biomolecules 11:11, pages 1692.
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Crossref
Zheng-Kun Kuang, Xi-Yao Cheng, Zi-Xin Yang, Yu-Xi Guo, Yong-Qi Huang & Zheng-Ding Su. (2021) In silico prediction of GLP-1R agonists using machine learning approach. Chemical Papers 75:7, pages 3587-3598.
Crossref
Crossref
Oluwafemi Adeleke Ojo, Abayomi Emmanuel Adegboyega, Grace Inioluwa Johnson, Ngozi Lillian Umedum, Kingsley Onuh, Mary Nneka Adeduro, Valentine Osita Nwobodo, Ayodele O. Elekan, Taiwo Emmanuel Alemika & Titilayo Omolara Johnson. (2021) Deciphering the interactions of compounds from Allium sativum targeted towards identification of novel PTP 1B inhibitors in diabetes treatment: A computational approach. Informatics in Medicine Unlocked 26, pages 100719.
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Patnala Ganga Raju Achary. (2020) Applications of Quantitative Structure-Activity Relationships (QSAR) based Virtual Screening in Drug Design: A Review. Mini-Reviews in Medicinal Chemistry 20:14, pages 1375-1388.
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Holli-Joi Sullivan, Xiaoyan Wang, Shaina Nogle, Siyan Liao & Chun Wu. (2020) To Probe Full and Partial Activation of Human Peroxisome Proliferator-Activated Receptors by Pan-Agonist Chiglitazar Using Molecular Dynamics Simulations. PPAR Research 2020, pages 1-24.
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Crossref
Anthony J. Hickey & Hugh D.C. SmythAnthony J. Hickey & Hugh D. C. Smyth. 2020. Pharmaco-complexity. Pharmaco-complexity
53
62
.
Elham Y. Al-Barghouthy, Areej Abuhammad & Mutasem O. Taha. (2019) QSAR-guided pharmacophore modeling and subsequent virtual screening identify novel TYK2 inhibitor. Medicinal Chemistry Research 28:9, pages 1368-1387.
Crossref
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Lina A. Dahabiyeh, Yasser Bustanji & Mutasem O. Taha. (2019) The herbicide quinclorac as potent lipase inhibitor: Discovery via virtual screening and in vitro/in vivo validation. Chemical Biology & Drug Design 93:5, pages 787-797.
Crossref
Crossref
Ma’mon M. Hatmal & Mutasem O. Taha. (2018) Combining Stochastic Deformation/Relaxation and Intermolecular Contacts Analysis for Extracting Pharmacophores from Ligand–Receptor Complexes. Journal of Chemical Information and Modeling 58:4, pages 879-893.
Crossref
Crossref
Areej Abuhammad, Rua'a A. Al‐Aqtash, Brandon J. Anson, Andrew D. Mesecar & Mutasem O. Taha. (2017)
Computational modeling of the bat
HKU4
coronavirus
3CL
pro
inhibitors as a tool for the development of antivirals against the emerging
M
iddle
E
ast respiratory syndrome (
MERS
) coronavirus
. Journal of Molecular Recognition 30:11.
Crossref
Crossref
Ma'mon M Hatmal & Mutasem O Taha. (2017) Simulated annealing molecular dynamics and ligand–receptor contacts analysis for pharmacophore modeling. Future Medicinal Chemistry 9:11, pages 1141-1159.
Crossref
Crossref
Mahmoud A. Al-Sha'er, Inas S. Almazari & Mutasem O. Taha. (2017) Discovery of novel potent nuclear factor kappa-B inhibitors (IKK-β) via extensive ligand-based modeling and virtual screening. Journal of Molecular Recognition 30:6, pages e2604.
Crossref
Crossref
Y.J. Qi, H.N. Lu, J.X. Liang, Y.M. Zhao, X.E. Wang & N.Z. Jin. (2017) Comparison of the molecular interactions of 7′-carboxyalkyl apigenin derivatives with S. cerevisiae α-glucosidase. Computational Biology and Chemistry 67, pages 182-193.
Crossref
Crossref
Shada J Alabed, Mohammad Khanfar & Mutasem O Taha. (2016)
Computer-aided discovery of new FGFR-1 inhibitors followed by
in vitro
validation
. Future Medicinal Chemistry 8:15, pages 1841-1869.
Crossref
Crossref
Y.J. Qi, Y.M. Zhao, H.N. Lu, X.E. Wang & N.Z. Jin. (2016) Exploring molecular flexibility and the interactions of Quercetin derivatives in the active site of α-glucosidase using molecular docking and charge density analysis. Computational and Theoretical Chemistry 1094, pages 55-68.
Crossref
Crossref
Areej Abuhammad & Mutasem Taha. (2016) Innovative computer-aided methods for the discovery of new kinase ligands. Future Medicinal Chemistry 8:5, pages 509-526.
Crossref
Crossref