Berkala Ilmiah Kimia Farmasi
Vol. 7 No. 2 (2020): DESEMBER

Analgesic Activity of Acyl-Salicylic Acid Derivatives And In Silico Docking Study For Their Potency As Cyclooxygenase-2 Inhibitors

Nuzul Wahyuning Diyah (Unknown)
Anindi Lupita Nasyanska (Unknown)
Bambang Tri Purwanto (Unknown)
Siswandono Siswandono (Unknown)



Article Info

Publish Date
21 Aug 2021

Abstract

A series of acyl salicylic acid derivatives were screened to investigate their analgesic activities and their potency as cyclooxygenase-2 (COX-2) inhibitors. Fourteen compounds (BS1–14) were assayed by acetic acid induced writhing test. Their ability for interaction with COX-2 was studied through a docking simulation at the COX-2 active site (PDB. 5IKQ). The results of the analgesic activity test gave 3 compounds that produce ED50< 0.39 mmol/kg body weight, lower than aspirin as a positive control. The compounds BS3 and BS4 showed excellent analgesic activity and the tert-butyl substituted molecule BS3 (O-(4-tert-butylbenzoyl)-salicylic acid analog) showed the highest analgesic activity with ED50 of 0.26 mmol/kg. Based on in silico molecular docking, it is known that almost all of the tested ligands (12 compounds) showed a higher binding affinity for COX-2 than meclofenamic acid which is a COX-2 inhibitory NSAID. The results of in vivo analgesic activity were justified with the outcome of in silico investigation. Molecular docking of acyl-salicylates confirmed in vivo experiments and it was found that BS3 was the most active compound as an analgesic agent and the most potent as a COX-2 inhibitor among the evaluated compounds.a

Copyrights © 2020






Journal Info

Abbrev

BIKFAR

Publisher

Subject

Biochemistry, Genetics & Molecular Biology Chemistry Medicine & Pharmacology

Description

to facilitate interaction, discussion, and updating of research ideas in the fields of pharmacy, Pharmaceutical Chemistry, Medicinal Chemistry, Drug Development, Organic synthesis, Analytical chemistry, Pharmaceutical Technology, Pharmaceutical Microbiology and Biotechnology, Pharmacology and ...