Article Per Year (5 Year)
p-Index From 2021 - 2026
0.23
P-Index
This Author published in this journals
All Journal Jurnal Crystal : Publikasi Penelitian Kimia dan Terapannya
Aga Adi Masyhuri
Unknown Affiliation
Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering

Published : 1 Documents Claim Missing Document
Claim Missing Document
Check
Articles

Found 1 Documents
Search

 1 
PENENTUAN INHIBITOR SELEKTIF DALAM MENGHAMBAT KERJA ENZIM SIKLOOKSIGENASE-2 dan EFEK MUTASI RESIDU ASAM AMINO SECARA IN SILICO Aga Adi Masyhuri
Jurnal Crystal : Publikasi Penelitian Kimia dan Terapannya Vol. 8 No. 1 (2026): Literasi Artikel Penelitian Kimia
Publisher : Program Studi Kimia, Fakultas MIPA, Universitas PGRI Banyuwangi

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36526/jc.v8i1.7471

Abstract

The development of selective inhibitors for Cyclooxygenase-2 (COX-2) enzymes is a strategic priority in molecular pharmacology to address the pathophysiology of inflammation without triggering gastrointestinal side effects. This report synthesizes research findings on the binding efficacy of four specific inhibitors—Celecoxib, Rofecoxib, Valdecoxib, and Etoricoxib—using an in-silico methodology based on AutoDock 4.0 docking algorithm. The primary finding reveals that Etoricoxib exhibits the highest selectivity with a ratio of 133, supported by molecular interactions at the methyl sulfone and pyridine groups. Residue mutation analysis identifies Tyrosine 385 (Y385) on COX-2 and Phenylalanine 518 (F518) on COX-1 as critical residues determining the dynamics of active site accessibility through catalytic volume change mechanisms. This report makes a significant contribution by validating computational methods as an accurate predictive tool for mapping ligand-receptor interactions on the COX-2 enzyme
Co-Authors