Unraveling the crystal structure, stability and drug likeness of 1,3,4-oxadiazole derivatives against Myelofibrosis: a combined experimental and computational investigation

Tumakuru Nagarajappa, Lohith; Chikkappaiahnayaka, Santhosh; Benedict Leoma, Mofeli; Isamura, Bienfait Kabuyaya; Venkatesh, Karthik; Singh, Krishna Ravi; Sindogi, Kishorkumar; Mandayam Anandalwar, Sridhar; P. Sadashiva, Maralinganadoddi

doi:10.1080/07391102.2024.2330013

Journal of Biomolecular Structure and Dynamics

2024

DOI: 10.1080/07391102.2024.2330013

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Unraveling the crystal structure, stability and drug likeness of 1,3,4-oxadiazole derivatives against Myelofibrosis: a combined experimental and computational investigation

Lohith Tumakuru Nagarajappa,

Santhosh Chikkappaiahnayaka,

Mofeli Benedict Leoma

et al.

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Cited by 6 publications

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Unraveling the crystal structure, stability and drug likeness of 1,3,4-oxadiazole derivatives against Myelofibrosis: a combined experimental and computational investigation

Cited by 6 publications

References 35 publications

A new Thiadiazole-triazine derivative: Structural investigation, DFT studies, ADME-T analysis and SARS-CoV-2 activity by docking simulation

A new Thiadiazole-triazine derivative: Structural investigation, DFT studies, ADME-T analysis and SARS-CoV-2 activity by docking simulation

A comprehensive analysis of the molecular packing in the crystal of (4-methoxyphenyl)methyl 4-(4-chlorophenyl)-1,3-thiazole-2-carboxylate: Insights of X-ray crystallography and DFT analysis

In silico studies of thiazole derivative towards its potential use against SARS-CoV-2: An intuition from an experimental and computational approach

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