Unexpected efficient one-pot synthesis, DFT calculations, and docking study of new 4-hydroxy-2H-chromen-2-one derivatives predicted to target SARS-CoV-2 spike protein-Reference-Cited by-同舟云学术

Unexpected efficient one-pot synthesis, DFT calculations, and docking study of new 4-hydroxy-2H-chromen-2-one derivatives predicted to target SARS-CoV-2 spike protein

Published:2024-01 Issue: Volume:1295 Page:136789
ISSN:0022-2860
Container-title:Journal of Molecular Structure
language:en
Short-container-title:Journal of Molecular Structure

Author:

Toubi Yahya^ORCID,Hakmaoui Yassin,EL Ajlaoui Rahhal,Abrigach Farid^ORCID,Zahri Driss,Radi Smaail,Rakib El Mostapha,Lgaz Hassane^ORCID,Hammouti Belkheir^ORCID

Publisher

Elsevier BV

Subject

Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry

Reference39 articles.

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4. Repurposing drugs as COVID-19 therapies: a toxicity evaluation;Ngan;Drug Discov. Today,2022

5. Identification of a novel dual-target scaffold for 3CLpro and RdRp proteins of SARS-CoV-2 using 3D-similarity search, molecular docking, molecular dynamics and ADMET evaluation;Aouidate;J. Biomol. Struct. Dyn.,2021

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