Structural, Electronic, ADME and p450 Analyses of Boron Containing Compounds against Omicron Variant (B.1.1.529) in SARS-CoV-2

نویسندگان

چکیده

Eight boron compounds are investigated in this study. Structural and spectral characterization is done at M062X/6-311G(d) level the water. Active sites of these determined using contour plots frontier molecular orbital, electrostatic potential (MEP) maps MEP contour.. Electrophilic nucleophilic attack regions determined. We aimed to determine whether inhibitor used treatment omicron variant SARS-CoV-2. Since SARS-CoV-2 a worldwide health problem, anti-viral properties studied were silico techniques. Bioavaliability analyses performed ADME p450. It was found that compound B7 can be good drug candidate against

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ژورنال

عنوان ژورنال: Cumhuriyet Science Journal

سال: 2023

ISSN: ['2587-2680', '2587-246X']

DOI: https://doi.org/10.17776/csj.1117056