Synthesis, spectroscopic, SC-XRD, DFT, RAHBs, RDG, molecular docking and in vitro anticancer evaluation of ethyl 1,2,5,6-tetrahydro-4‑hydroxy-2,6-diphenylpyridine-3-carboxylate

Sampathkumar, Jayanthi; Dalavi, Pandurang Appana; Venkatesan, Jayachandran; Amaladoss, Nepolraj; Rajamanickam, Ramachandran

doi:10.1016/j.molstruc.2024.137731

Journal of Molecular Structure

2024

DOI: 10.1016/j.molstruc.2024.137731

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Synthesis, spectroscopic, SC-XRD, DFT, RAHBs, RDG, molecular docking and in vitro anticancer evaluation of ethyl 1,2,5,6-tetrahydro-4‑hydroxy-2,6-diphenylpyridine-3-carboxylate

Jayanthi Sampathkumar,

Pandurang Appana Dalavi,

Jayachandran Venkatesan

et al.

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Cited by 6 publications

References 25 publications

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Experimental and theoretical studies of methyl 1-(2-chloroacetyl)-4-hydroxy-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate: Insights from synthesis, spectroscopic, crystal structure, Hirshfeld surface, DFT, ELF, RDG, IRI, ADMET and docking studies

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Experimental and theoretical studies of methyl 1-(2-chloroacetyl)-4-hydroxy-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate: Insights from synthesis, spectroscopic, crystal structure, Hirshfeld surface, DFT, ELF, RDG, IRI, ADMET and docking studies

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et al. 2024

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Synthesis, spectroscopic, SC-XRD, DFT, RAHBs, RDG, molecular docking and in vitro anticancer evaluation of ethyl 1,2,5,6-tetrahydro-4‑hydroxy-2,6-diphenylpyridine-3-carboxylate

Cited by 6 publications

References 25 publications

Experimental and theoretical studies of methyl 1-(2-chloroacetyl)-4-hydroxy-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate: Insights from synthesis, spectroscopic, crystal structure, Hirshfeld surface, DFT, ELF, RDG, IRI, ADMET and docking studies

Experimental and theoretical studies of methyl 1-(2-chloroacetyl)-4-hydroxy-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate: Insights from synthesis, spectroscopic, crystal structure, Hirshfeld surface, DFT, ELF, RDG, IRI, ADMET and docking studies

Single crystal, conformational, quantum reactivity, hirshfeld surface, molecular interactions, ADMET, and molecular docking investigations on HIV-1 site of 3-isopropyldiphenyl-1-(2-(thiophen-2yl)acetyl)piperidin-4-one

Synthesis of new 1,4-benzodioxin derivatives containing thiazolidin-4-one skeleton, molecular modelling and docking as antibacterial agents

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