Synthesis, molecular docking analysis, molecular dynamic simulation, ADMET, DFT, and drug likeness studies: Novel Indeno[1,2-b]pyrrol-4(1H)-one as SARS-CoV-2 main protease inhibitors

Open Access

Peer-reviewed

Research Article

About the Authors

Davood Gheidari

Roles Conceptualization, Data curation, Formal analysis, Investigation, Software, Writing – original draft

Affiliation Faculty of Science, Department of Chemistry, University of Guilan, Rasht, Iran

Morteza Mehrdad

Roles Conceptualization, Data curation, Formal analysis, Investigation, Project administration, Writing – original draft

Affiliation Faculty of Science, Department of Chemistry, University of Guilan, Rasht, Iran

Mohammad Bayat

Roles Conceptualization, Data curation, Formal analysis, Investigation, Supervision, Writing – original draft

Affiliation Faculty of Science, Department of Chemistry, Imam Khomeini International University, Qazvin, Iran

NO authors have competing interests.

SARS CoV 2
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Isomers
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Chemical synthesis
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Biochemical simulations
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COVID 19
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Hydrogen bonding
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Molecular dynamics
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Toxicity
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