[HTML][HTML] 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 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 …

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 …

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 …

Accessing target information by virtual parallel screening—the impact on natural product research

JM Rollinger - Phytochemistry Letters, 2009 - Elsevier
Secondary metabolites exhibit an astonishing multitude of functionalities and enormous
chemical diversity and these qualities are responsible for their favoured selection as drug …

Cheminformatics in natural product‐based drug discovery

Y Chen, J Kirchmair - Molecular Informatics, 2020 - Wiley Online Library
This review seeks to provide a timely survey of the scope and limitations of cheminformatics
methods in natural product‐based drug discovery. Following an overview of data resources …

Repositioning natural products in drug discovery

G Rastelli, F Pellati, L Pinzi, MC Gamberini - Molecules, 2020 - mdpi.com
Drug repositioning (o repurposing) has become one of the most popular and successful
strategies to reduce failures typically associated with drug discovery [1]. It involves the …

[HTML][HTML] Advances in the Applications of Bioinformatics and Chemoinformatics

MA Raslan, SA Raslan, EM Shehata, AS Mahmoud… - Pharmaceuticals, 2023 - mdpi.com
Chemoinformatics involves integrating the principles of physical chemistry with computer-
based and information science methodologies, commonly referred to as “in silico …

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 …