Garuda - Garba Rujukan Digital

Luthfi Ahmad Muchlashi

Unknown Affiliation

Author-ID : 3194688

Biochemistry, Genetics & Molecular Biology Chemistry Education Health Professions Immunology & microbiology Medicine & Pharmacology Public Health Other

Published : 3 Documents Claim Missing Document

Claim Missing Document

Articles

1

Design and Molecular Docking Studies of Quinazoline Derivatives as Antiproliferation Anita Puspa Widiyana; Galih Satrio Putra; Luthfi Ahmad Muchlashi; Mellany Ika Sulistyowaty; Tutuk Budiati
JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Vol. 3 No. 2 (2016): JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA
Publisher : Universitas Airlangga

Background: Nowadays, a lot of new active substances as anticancer agents have been developed. One of the protein targets of anticancer is selective cyclooxygenase-2 (COX-2). Selective COX-2 is the regulator of cell proliferation. Objective: In this research, quinazoline derivatives were used to design the anticancer agent through a selective COX-2 inhibition. The potential activity of quinazoline derivatives could be increased by substitution in position 2 and 3 of quinazolinone. Molecular docking of selective COX-2 inhibition was required to predict their antiproliferation activity. Methods: The molecular docking of quinazoline derivatives was carried out using Molegro Virtual Docker (MVD) Ver.5.5. Twenty-one of quinazoline derivatives were docked into selective COX-2 with PDB code 3LN1. The interaction was evaluated based on the re-ranked score comparison between quinazoline derivatives with co-crystallized ligand CEL_682. Celecoxib was used as the reference to this research. Results: The result indicated that 18 of 21 quinazoline derivatives showed the approximately re-ranked score -131.508 to -108.418 kcal/mol. Eight of these 18 new quinazoline derivatives have re-ranked score better than Celecoxib. Conclusions: In conclusion, 8 of the new quinazoline derivatives are feasible to be synthesize and performed their in vitro evaluation.

Molecular Docking Study of 3-Amino-2-Phenylquinazoline-4(3H)-One Derivative as A Potential COX-2 Selective Analgesic Candidate Naura Salsabila Nadhifa; Luthfi Ahmad Muchlashi
Pharmaceutical Journal of Indonesia Vol. 10 No. 1 (2024)
Publisher : Brawijaya University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21776/ub.pji.2024.010.01.3

Background: Quinazoline is a group of alkaloid compounds found in several plant and animal families, such as plants in the Rutaceae family. Non-selective COX-2 inhibitors, while effective analgesics, may also inhibit COX-1 in the gastrointestinal tract, potentially disrupting protective mucus production. This research aims to assess the potential of the derivative compound 3-Amino-2-Phenylquinazoline-4(3H)-One as an analgesic agent through molecular docking. The selection of test compounds was conducted using the Topliss Tree method. The potency of the compounds was assessed based on rerank scores and interactions with amino acids in COX-2 (PDB ID 1PXX) and COX-1 (PDB ID 1EQG). The findings suggest that compound 14cpq may exhibit selective COX-2 inhibitory activity. This is supported by its lower rerank score with COX-2 (-85.2374 arb. units) compared to COX-1 (-63.9889 arb. units), as well as its interactions with amino acids Ser1530 and Met1522 within the COX-2 binding site, similar to sodium diclofenac. Furthermore, 14cpq displays distinct interaction patterns with COX-1 compared to ibuprofen, reinforcing its potential selectivity for COX-2. However, further research is required to ascertain the effectiveness of these compound as selective COX-2 analgesics. Keywords: 3-amino-2-phenylquinazoline-4(3H)-one derivatives; analgesic; molecular docking

Molecular Docking Study of 3-Amino-2-Phenylquinazoline-4(3H)-One Derivative as A Potential COX-2 Selective Analgesic Candidate Naura Salsabila Nadhifa; Luthfi Ahmad Muchlashi
Pharmaceutical Journal of Indonesia Vol. 10 No. 1 (2024)
Publisher : Brawijaya University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21776/ub.pji.2024.010.01.3

Background: Quinazoline is a group of alkaloid compounds found in several plant and animal families, such as plants in the Rutaceae family. Non-selective COX-2 inhibitors, while effective analgesics, may also inhibit COX-1 in the gastrointestinal tract, potentially disrupting protective mucus production. This research aims to assess the potential of the derivative compound 3-Amino-2-Phenylquinazoline-4(3H)-One as an analgesic agent through molecular docking. The selection of test compounds was conducted using the Topliss Tree method. The potency of the compounds was assessed based on rerank scores and interactions with amino acids in COX-2 (PDB ID 1PXX) and COX-1 (PDB ID 1EQG). The findings suggest that compound 14cpq may exhibit selective COX-2 inhibitory activity. This is supported by its lower rerank score with COX-2 (-85.2374 arb. units) compared to COX-1 (-63.9889 arb. units), as well as its interactions with amino acids Ser1530 and Met1522 within the COX-2 binding site, similar to sodium diclofenac. Furthermore, 14cpq displays distinct interaction patterns with COX-1 compared to ibuprofen, reinforcing its potential selectivity for COX-2. However, further research is required to ascertain the effectiveness of these compound as selective COX-2 analgesics. Keywords: 3-amino-2-phenylquinazoline-4(3H)-one derivatives; analgesic; molecular docking

Title

Found 3 Documents
Search

Abstract

Abstract

Abstract

Title Search

Found 3 Documents Search

Abstract

Abstract

Abstract

Title

Found 3 Documents
Search