Journals on Medical Casereports - BJSTR Journal

Abstract

Most of the nonsteroidal #anti-inflammation drugs (NSAID) have some demerits depending on type and nature of physical conditions and limit of doses. Herein, we report the optimization of Naproxen and its degradants employing density functional theory (DFT) with B3LYP/6-31g+(d,p) level theory to elucidate their thermal and molecular orbital properties. Molecular docking and nonbonding interactions have been performed against #prostaglandin synthase protein (5F19) to search binding affinity and interactions of all compounds with the respective protein. #Pharmacokinetic properties also calculated to search their absorption, metabolism, and carcinogenicity.#Naproxen is a naphthalene nucleus bearing nonsteroidal an- ti-pyratic and anti-inflammatory drug, that plays key role against #cyclooxygenase (COX) leading to suppress #prostaglandins accumulation caused by various diseases [1,2]. It has undesirable side effects upon routine medication due to free form of terminal acid group. A bunch of modification focused on terminal acid group protection or prodrug derivatization in order to minimize the secondary effect [1-3]. Several degradative studies suggested to investigate the nature of #degradant in the different chemical and physical environment [4,5].

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Molecular Docking, Pharmacokinetic, and DFT Calculation of Naproxen and its Degradants by Moniruzzaman in BJSTR

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