Density functional theory and molecular docking studies on electronic and optical features of poly (lactic acid) interacting with celecoxib

Saghali, Marzie; Lemeski, E. Tazikeh; Baraghoosh, Mozhgan Fekri; Mirzaei, Hassan; Khandoozi, Seyed Reza; Erfani-Moghadam, Vahid; Taziki, Shohreh; Soltani, Alireza

doi:10.1016/j.chphi.2023.100356

Chemical Physics Impact

2023

DOI: 10.1016/j.chphi.2023.100356

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Density functional theory and molecular docking studies on electronic and optical features of poly (lactic acid) interacting with celecoxib

Marzie Saghali,

E. Tazikeh Lemeski,

Mozhgan Fekri Baraghoosh

et al.

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2024

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Cited by 3 publications

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Density functional theory and molecular docking studies on electronic and optical features of poly (lactic acid) interacting with celecoxib

Cited by 3 publications

References 48 publications

Computational analysis of clindamycin-loaded PLGA and Gly-PLGA carriers in order to enhance drug delivery efficiency using DFT and MD simulation

Computational analysis of clindamycin-loaded PLGA and Gly-PLGA carriers in order to enhance drug delivery efficiency using DFT and MD simulation

A theoretical study on the solvent effects on adsorption behavior of naproxen with PLGA nanoparticles

Synthesis, docking studies, in silico ADMET predictions, DFT calculations, and photophysical properties of thiazole-anthracene hybrids as potent EGFR inhibitors

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