"Pharmacophore Modeling in Drug Discovery: Methodology and Current Status"
◦ Publication Date: 2021-06-29
◦ DOI:10.18596/jotcsa.927426
◦ Summary: Reviews the methodology of pharmacophore modeling, its integration with other computational methods, and its applications in drug discovery.
"Pharmacophore Modeling in Drug Discovery and Development: An Overview"
◦ Publication Date: 2007-02-28
◦ DOI:10.2174/157340607780059521
◦ Summary: Provides a historical overview of pharmacophore modeling and discusses developments in methodologies for pharmacophore identification and their applications in drug discovery.
"A Computer-Aided Drug Discovery Based Discovery of Lead-Like Compounds Against KDM5A for Cancers Using Pharmacophore Modeling and High-Throughput Virtual Screening"
◦ Publication Date: 2021-10-12
◦ DOI:10.1002/prot.26262
◦ Summary: Identifies lead compounds for KDM5A through pharmacophore modeling and high-throughput virtual screening, with further evaluation using ADMET properties and molecular dynamics simulations.
"The Development of Pharmacophore Modeling: Generation and Recent Applications in Drug Discovery"
◦ Publication Date: 2018-12-08
◦ DOI:10.2174/1381612824666180810162944
◦ Summary: Reviews successful examples of pharmacophore modeling applied in virtual screening and lead optimization, providing an overview of pharmacophore-based virtual screening.
"Pharmacophore Modeling: Advances, Limitations, and Current Utility in Drug Discovery"
◦ Publication Date: 2014-11-11
◦ DOI:10.2147/JRLCR.S46843
◦ Summary: Reviews the computational implementation of the pharmacophore concept and its common usage in drug discovery, including virtual screening, ADME-tox modeling, and target identification.
"Computational Discovery of SARS-CoV-2 NSP 16 Drug Candidates Based on Pharmacophore Modeling and Molecular Dynamics Simulation"
◦ Publication Date: 2021-06-01
◦ DOI:10.1142/s2737416521500198
◦ Summary: Uses pharmacophore-based virtual screening and molecular dynamics simulations to identify potential SARS-CoV-2 NSP 16 inhibitors.
"Azolium Analogues as CDK4 Inhibitors: Pharmacophore Modeling, 3D QSAR Study and New Lead Drug Discovery"
◦ Publication Date: 2017-04-15
◦ DOI:10.1016/J.MOLSTRUC.2016.12.106
◦ Summary: Presents ligand-based pharmacophore modeling and 3D-QSAR analyses for azolium-based CDK4 inhibitors.
"The Discovery of Novel BCR-ABL Tyrosine Kinase Inhibitors Using a Pharmacophore Modeling and Virtual Screening Approach"
◦ Publication Date: 2021-03-04
◦ DOI:10.3389/fcell.2021.649434
◦ Summary: Identifies novel BCR-ABL inhibitors through pharmacophore modeling and virtual screening, with in vitro validation.
"Unlocking Neuraminidase Inhibitors: Insights from Natural Products through Pharmacophore Modeling, Virtual Screening, and Molecular Docking"
◦ Publication Date: 2024-11-08
◦ DOI:10.2174/0115701808334140241107111104
◦ Summary: Identifies potential neuraminidase inhibitors from natural products using pharmacophore modeling, virtual screening, and molecular docking.