In silico virtual screening approaches for anti-viral drug discovery

MS Murgueitio, M Bermudez, J Mortier… - Drug Discovery Today …, 2012 - Elsevier
… In this review we discuss how different virtual screening techniques can be applied to
antiviral drug discovery, present recent success stories in this field and finally address the main …

Virtual high-throughput in silico screening

MHJ Seifert, K Wolf, D Vitt - Biosilico, 2003 - Elsevier
… is only one side of the coin in virtual screening. The full power of in silico screening may be
achieved through the integration of virtual ‘molecular recognition’, filter algorithms for ADMET …

In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling

S Ekins, J Mestres, B Testa - British journal of pharmacology, 2007 - Wiley Online Library
… In contrast to technology-driven HTS, virtual screening is a knowledge-driven approach
that … (ligand-based virtual screening) or on the target itself (target-based virtual screening). …

High-throughput virtual screening (HTVS) of natural compounds and exploration of their biomolecular mechanisms: an in silico approach

A Dhasmana, S Raza, R Jahan, M Lohani… - New look to …, 2019 - Elsevier
… Here, we discuss the widely used techniques, tools, and databases for virtual screening of
natural compounds. Finally, computational methods for absorption, distribution, metabolism, …

Virtual screening of GPCRs: An in silico chemogenomics approach

L Jacob, B Hoffmann, V Stoven, JP Vert - BMC bioinformatics, 2008 - Springer
… We propose new methods for in silico chemogenomics and validate them on the virtual
screening of GPCRs. The methods represent an extension of a recently proposed machine …

Virtual screening: an in silico tool for interlacing the chemical universe with the proteome

Y Westermaier, X Barril, L Scapozza - Methods, 2015 - Elsevier
silico screening both in the forward (traditional virtual screening) and reverse sense (inverse
virtual screening … By comparing it to complementary or alternative wet-lab approaches, we …

In-Silico Approaches to Multi-target Drug Discovery: Computer Aided Multi-target Drug Design, Multi-target Virtual Screening

XH Ma, Z Shi, C Tan, Y Jiang, ML Go, BC Low… - Pharmaceutical …, 2010 - Springer
virtual screening models. SVMs were tested because of their good performance and high
speed in screening … as our own experiences in developing SVM virtual screening tools (50,51). …

Virtual screening of mutations in antioxidant genes and its putative association with HNSCC: An in silico approach

A Paramasivam - … Research/Fundamental and Molecular Mechanisms of …, 2020 - Elsevier
… The virtual screening identified several novel variants in antioxidant genes with putative …
The present study employs in silico methods to identify variations in the antioxidant genes and …

Homology Modeling and Virtual Screening Studies of Antigen MLAA‐42 Protein: Identification of Novel Drug Candidates against Leukemia—An In Silico Approach

IA Shehadi, HRM Rashdan… - … methods in medicine, 2020 - Wiley Online Library
… In the present study, computer aided virtual screening studies were carried out using …
for designing newer drug-like molecules for leukemia treatment, using in silico approaches. …

[PDF][PDF] Virtual screening of COVID-19 drug from three Indian traditional medicinal plants through in silico approach

T Rathinavel, S Thangaswamy… - Research Journal of …, 2020 - researchgate.net
… Hence our in silico virtual screening study reveals that four compounds namely antiviral
drug Baloxavir marboxil, Formononetin 7 O Glucuronide from Phyllanthus niruri, Limocinin from …