Alkaloids as Potential anti-HIV agents.
alkaloids
anti-HIV
integrase inhibitors
molecular docking
non-nucleoside reverse transcriptase inhibitors
protease inhibitors
Journal
Current HIV research
ISSN: 1873-4251
Titre abrégé: Curr HIV Res
Pays: Netherlands
ID NLM: 101156990
Informations de publication
Date de publication:
08 Jun 2023
08 Jun 2023
Historique:
received:
11
10
2022
revised:
01
04
2023
accepted:
19
04
2023
medline:
9
6
2023
pubmed:
9
6
2023
entrez:
9
6
2023
Statut:
aheadofprint
Résumé
Alkaloids are nitrogen-containing compounds that are naturally occurring and have a variety of biological activities, including antimicrobial properties. In this study, the authors used a molecular docking approach to evaluate the anti-HIV potential of 64 alkaloids. The authors used the Molergo Virtual Blocker software to dock the alkaloids into the active sites of three HIV enzymes: protease, integrase, and non-nucleoside reverse transcriptase (NNRT). The docking scores were used to assess the potential of the alkaloids to inhibit the enzymes. The results showed that the alkaloids had good potential to inhibit the enzymes. Tubocurarine and reserpine were found to be the most potent alkaloids, with docking scores of -123.776 and -114.956, respectively. The authors concluded that tubocurarine and reserpine could be further promoted as potential lead molecules for the development of new HIV drugs.
Sections du résumé
BACKGROUND
BACKGROUND
Alkaloids are nitrogen-containing compounds that are naturally occurring and have a variety of biological activities, including antimicrobial properties. In this study, the authors used a molecular docking approach to evaluate the anti-HIV potential of 64 alkaloids.
METHODS
METHODS
The authors used the Molergo Virtual Blocker software to dock the alkaloids into the active sites of three HIV enzymes: protease, integrase, and non-nucleoside reverse transcriptase (NNRT). The docking scores were used to assess the potential of the alkaloids to inhibit the enzymes.
RESULTS
RESULTS
The results showed that the alkaloids had good potential to inhibit the enzymes. Tubocurarine and reserpine were found to be the most potent alkaloids, with docking scores of -123.776 and -114.956, respectively.
CONCLUSION
CONCLUSIONS
The authors concluded that tubocurarine and reserpine could be further promoted as potential lead molecules for the development of new HIV drugs.
Identifiants
pubmed: 37291776
pii: CHR-EPUB-132405
doi: 10.2174/1570162X21666230608114130
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Informations de copyright
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