Applications of virtual screening in bioprospecting: facts, shifts, and perspectives to explore the chemo-structural diversity of natural products
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 …
with industrial applications, attracting the attention of scientific research efforts due to their …
Virtual screening in drug discovery
Natural products, containing inherently large-scale structural diversity than synthetic
compounds, have been the major resources of bioactive agents and will continuously play …
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 …
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
Natural products, containing inherently large-scale structural diversity than synthetic
compounds, have been the major resources of bioactive agents and will continually play as …
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 …
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 …
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 …
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 …
strategies to reduce failures typically associated with drug discovery [1]. It involves the …
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 …
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 …
exacerbated by resistance against a large group of available drugs. Development of a new …
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