Structure-based virtual screening for drug discovery: principles, applications and recent advances

E Lionta, G Spyrou, DK Vassilatis… - Current topics in …, 2014 - ingentaconnect.com
… the process. In this review, we focus on the principles and applications of Virtual Screening
(… the initial stages of the process that include receptor and library pre-processing, to docking, …

Virtual screening of natural products database

JA de Sousa Luis, RPC Barros… - Mini Reviews in …, 2021 - ingentaconnect.com
… a virtual screening on databases of natural products or containing natural products; and c) …
employed further to mine two major natural products screening libraries, ie., TimTec Natural

Virtual screening of Abl inhibitors from large compound libraries by support vector machines

XH Liu, XH Ma, CY Tan, YY Jiang, ML Go… - Journal of chemical …, 2009 - ACS Publications
… explore other in silico methods capable of searching large compound libraries at high yields
… ) as a virtual screening tool for searching Abl inhibitors from large compound libraries. SVM …

Development and testing of druglike screening libraries

J Wang, Y Ge, XQ Xie - Journal of chemical information and …, 2018 - ACS Publications
screening is becoming an indispensable approach to identify drug leads. Compared to HTS,
virtual screening is another techniqueVirtual screening is a widely used technique to enrich …

Discovery of Diverse Natural Products as Inhibitors of SARS-CoV-2 Mpro Protease through Virtual Screening

J Rubio-Martínez, A Jiménez-Alesanco… - Journal of chemical …, 2021 - ACS Publications
Virtual screening is a cost-effective technique to screen for large libraries of compounds.
The purpose of this work was to carry out virtual screening of the Selleck library of Natural

High throughput virtual screening (HTVS) of peptide library: Technological advancement in ligand discovery

NM Tripathi, A Bandyopadhyay - European Journal of Medicinal Chemistry, 2022 - Elsevier
… peptide libraries from 2011 to 2021. In addition, we focus on the software used for preparing
libraries, their screening techniques and shortcomings. An index of various HTVS methods

Virtual screening strategies in drug discovery: a critical review

A Lavecchia, C Di Giovanni - Current medicinal chemistry, 2013 - ingentaconnect.com
… of space can be derived from natural products, molecules derived mainly from … natural
productlike combinatorial libraries. Notably, despite the tremendous impact that natural products

A support vector machines approach for virtual screening of active compounds of single and multiple mechanisms from large libraries at an improved hit-rate and …

LY Han, XH Ma, HH Lin, J Jia, F Zhu, Y Xue… - Journal of Molecular …, 2008 - Elsevier
… vector machines virtual screening tools developed in this work for identifying HIV protease
inhibitors, DHFR inhibitors, dopamine antagonists, and CNS active agents in screening 2.986 …

Structure-based virtual screening of chemical libraries for drug discovery

S Ghosh, A Nie, J An, Z Huang - Current opinion in chemical biology, 2006 - Elsevier
… , virtual screening is being increasingly used as a complement to high-throughput screening
to improve the speed and efficiency of the drug discovery and development process. The …

Virtual screening techniques in drug discovery: review and recent applications

SFL da Silva Rocha, CG Olanda… - Current topics in …, 2019 - ingentaconnect.com
… For docking studies, structure-based approaches in drug design and reverse virtual
screening studies, there are biotarget libraries or databases, which contain experimentally de…