Exploring the potential of some natural indoles as antiviral agents: quantum chemical analysis, inverse molecular docking, and affinity calculations

Exploring the potential of some natural indoles as antiviral agents: quantum chemical analysis, inverse molecular docking, and affinity calculations

Human immunodeficiency virus (HIV) and hepatitis C virus (HCV) infections represent critical global health challenges due to the high morbidity and mortality associated with co-infections. HIV, the causative agent of acquired immunodeficiency syndrome (AIDS), infects 4,000 people daily, potentially...

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Main Authors: Amany Belal, Aly Abdou, Samar F. Miski, Mohamed A. M. Ali, Heba I. Ghamry, Ahmad J. Obaidullah, Mohamed Y. Zaky, Ahmed H. E. Hassan, Eun Joo Roh, Ahmed A. Al-Karmalawy, Mona H. Ibrahim
Format: Article
Language:English
Published: Frontiers Media S.A. 2025-01-01
Series:Frontiers in Chemistry
Subjects:
indole alkaloids
HCV
HIV
DFT
NBO analysis
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2024.1521298/full
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https://www.frontiersin.org/articles/10.3389/fchem.2024.1521298/full

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