Virtual screening in drug discovery

AR Patel, HB Patel, SK Mody, RD Singh… - Journal of Veterinary …, 2021 - indianjournals.com
Natural products, containing inherently large-scale structural diversity than synthetic
compounds, have been the major resources of bioactive agents and will continuously play …

Applications of virtual screening in bioprospecting: facts, shifts, and perspectives to explore the chemo-structural diversity of natural products

K Santana, LD Do Nascimento, A Lima e Lima… - Frontiers in …, 2021 - frontiersin.org
Natural products are continually explored in the development of new bioactive compounds
with industrial applications, attracting the attention of scientific research efforts due to their …

Virtual screening on natural products for discovering active compounds and target information

J Shen, X Xu, F Cheng, H Liu, X Luo… - Current medicinal …, 2003 - ingentaconnect.com
Natural products, containing inherently large-scale structural diversity than synthetic
compounds, have been the major resources of bioactive agents and will continually play as …

Virtual screening for the discovery of bioactive natural products

JM Rollinger, H Stuppner, T Langer - Natural compounds as drugs …, 2008 - Springer
In this survey the impact of the virtual screening concept is discussed in the field of drug
discovery from nature. Confronted by a steadily increasing number of secondary metabolites …

Identification of bioactive natural products by pharmacophore-based virtual screening

D Schuster, G Wolber - Current pharmaceutical design, 2010 - ingentaconnect.com
Natural products have been exposed to a long selection process to interact with biological
targets and are therefore a valuable source for ideas for novel chemical entities in drug …

Structure based virtual screening to discover putative drug candidates: necessary considerations and successful case studies

M Danishuddin, AU Khan - Methods, 2015 - Elsevier
Drug discovery faces daunting challenges in the current economic situation, which is further
exacerbated by resistance against a large group of available drugs. Development of a new …

Function and structure-based screening of compounds, peptides and proteins to identify drug candidates

V Malik, JK Dhanjal, A Kumari, N Radhakrishnan… - Methods, 2017 - Elsevier
Drug discovery in simple words is all about finding small molecular compounds that possess
the potential to interact with specific bio-macromolecules, mainly proteins, thereby bringing a …

Virtual screening of bioactive compounds: concepts and aplications

E Piccirillo, AT Amaral - Química Nova, 2018 - SciELO Brasil
The search and use of bioactive compounds for different applications have been
investigated, since ancient time. Virtual screening (VS) has emerged as alternative …

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
High-throughput virtual screening (HTVS) methods have played a cardinal role in the
development of therapeutically important natural compounds. HTVS allows scientists to …

[HTML][HTML] Advances in computational approaches for drug discovery based on natural products

JL Medina-Franco - Revista latinoamericana de química, 2013 - scielo.org.mx
Drug discovery based on natural products has a long successful history. To further advance
the identification of new drugs from compounds of natural origin, natural product research is …