Exploring pyrazolines as potential inhibitors of NSP3-macrodomain of SARS-CoV-2: synthesis and in silico analysis

Exploring pyrazolines as potential inhibitors of NSP3-macrodomain of SARS-CoV-2: synthesis and in silico analysis

Abstract COVID-19 has proved to be a global health crisis during the pandemic, and the emerging JN.1 variant is a potential threat. Therefore, finding alternative antivirals is of utmost priority. In the current report, we present the synthesis of new and potential anti-viral pyrazoline compounds. H...

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Main Authors: Rekha Joshi, Harsh Gaikwad, Bhavana Soge, Abdulrahman Alshammari, Norah A. Albekairi, Atul Kabra, Usha Yashwante, Baban Kolte, Pradip Lokhande, Rohan J Meshram
Format: Article
Language:English
Published: Nature Portfolio 2025-01-01
Series:Scientific Reports
Subjects:
Regioselective synthesis
NSP3-macrodomain
COVID-omicron XBB variant
Docking
MMPBSA
Linear interaction energy
Online Access:https://doi.org/10.1038/s41598-024-81711-5
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https://doi.org/10.1038/s41598-024-81711-5

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