In-silico studies of novel triazole derivatives as inhibitor of 14a demethylase CYP51

Rao, Shrusti; Bhat, Varadaraj G; Fathima, Fajeelath; Kumar, S. Sathish; Verma, Ruchi

doi:10.5958/0974-360x.2020.01012.4

Research Journal of Pharmacy and Technology

2020

DOI: 10.5958/0974-360x.2020.01012.4

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In-silico studies of novel triazole derivatives as inhibitor of 14a demethylase CYP51

Shrusti Rao¹,

Varadaraj G Bhat²,

Fajeelath Fathima³

et al.

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2023

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Molecular docking of some Triphenyltin (IV) aminobenzoate compounds as potential antiviral agents

Hadi,

Noviany,

Tri Wahyudi

2023

RJPT

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The triphenyltin (IV) hydroxide reaction by 2-, 3-, as well as 4-aminobenzoic acid was used to analyze the molecular docking of some triphenyltin (IV) aminobenzoate compounds in this research. These include; triphenyltin (IV) 2-aminobenzoate (2), triphenyltin (IV) 3-aminobenzoate (3) as well as triphenyltin (IV) 4-aminobenzoate (4) were well characterized by means of some spectroscopy techniques and microelemental analysis. The molecular docking was conducted on protein isolated from SARS-Cov-2 virus. The protein chosen was MPro and was docked toward the three compounds synthesized and compared with the commercial drug used for the treatment of virus, boceprevir. Based on the analysis of the energy binding calculation, the result revealed that the energy binding of the compounds 2-4 was -9.74; -9.97 and 10.42kcal/mol, respectively, while for boceprevir was -9.60kcal/mol. These results indicated that the three compounds were stronger as antivirus than the standard drug used, thus they are potentially used and developed as drugs in the treatment of virus SARS-Cov-2.

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Molecular docking of some Triphenyltin (IV) aminobenzoate compounds as potential antiviral agents

Hadi,

Noviany,

Tri Wahyudi

2023

RJPT

View full text Add to dashboard Cite

show abstract

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In-silico studies of novel triazole derivatives as inhibitor of 14a demethylase CYP51

Cited by 1 publication

References 0 publications

Molecular docking of some Triphenyltin (IV) aminobenzoate compounds as potential antiviral agents

Molecular docking of some Triphenyltin (IV) aminobenzoate compounds as potential antiviral agents

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