Alkylated benzimidazoles: Design, synthesis, docking, DFT analysis, ADMET property, molecular dynamics and activity against HIV and YFV

A series of alkylated benzimidazole derivatives was synthesized and screened for their anti-HIV, anti-YFV, and broad-spectrum antiviral properties. The physicochemical parameters and drug-like properties of the compounds were assessed first, and then docking studies and MD simulations on HIV-RT allo...

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Bibliografiske detaljer
Udgivet i:Comput Biol Chem
Main Authors: Srivastava, Ritika, Gupta, Sunil K., Naaz, Farha, Sen Gupta, Parth Sarthi, Yadav, Madhu, Singh, Vishal Kumar, Singh, Anuradha, Rana, Malay Kumar, Gupta, Satish Kumar, Schols, Dominique, Singh, Ramendra K.
Format: Artigo
Sprog:Inglês
Udgivet: Elsevier Ltd. 2020
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Article
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC7537607/
https://ncbi.nlm.nih.gov/pubmed/33068917
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.compbiolchem.2020.107400
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