Cheminformatic Characterization of Natural Antimicrobial Products for the Development of New Lead Compounds.
antimicrobial resistance
cheminformatics
drug-likeness
hit prioritization
hit-optimization
natural products
Journal
Molecules (Basel, Switzerland)
ISSN: 1420-3049
Titre abrégé: Molecules
Pays: Switzerland
ID NLM: 100964009
Informations de publication
Date de publication:
29 Jun 2021
29 Jun 2021
Historique:
received:
10
04
2021
revised:
29
05
2021
accepted:
02
06
2021
entrez:
2
7
2021
pubmed:
3
7
2021
medline:
15
7
2021
Statut:
epublish
Résumé
The growing antimicrobial resistance (AMR) of pathogenic organisms to currently prescribed drugs has resulted in the failure to treat various infections caused by these superbugs. Therefore, to keep pace with the increasing drug resistance, there is a pressing need for novel antimicrobial agents, especially from non-conventional sources. Several natural products (NPs) have been shown to display promising in vitro activities against multidrug-resistant pathogens. Still, only a few of these compounds have been studied as prospective drug candidates. This may be due to the expensive and time-consuming process of conducting important studies on these compounds. The present review focuses on applying cheminformatics strategies to characterize, prioritize, and optimize NPs to develop new lead compounds against antimicrobial resistance pathogens. Moreover, case studies where these strategies have been used to identify potential drug candidates, including a few selected open-access tools commonly used for these studies, are briefly outlined.
Identifiants
pubmed: 34209681
pii: molecules26133970
doi: 10.3390/molecules26133970
pmc: PMC8271829
pii:
doi:
Substances chimiques
Anti-Infective Agents
0
Biological Products
0
Lead
2P299V784P
Types de publication
Journal Article
Review
Langues
eng
Sous-ensembles de citation
IM
Subventions
Organisme : South African Research Chairs Initiative of the Department of Science and Innovation and National Re-search Foundation of South Africa
ID : UID 64751
Organisme : The APC charges were funded by the SA Medical Research Council
ID : nil
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