STRUCTURE-BASED DOCKING STUDIES TOWARD EXPLORING THE POTENTIAL ANTICANCER ACTIVITY OF MORIN AGAINST NON-MELANOMA SKIN CANCER THERAPEUTIC DRUG TARGETS

C, Anjugam and M, Sridevi and Ts, Gnanendra (2018) STRUCTURE-BASED DOCKING STUDIES TOWARD EXPLORING THE POTENTIAL ANTICANCER ACTIVITY OF MORIN AGAINST NON-MELANOMA SKIN CANCER THERAPEUTIC DRUG TARGETS. Asian Journal of Pharmaceutical and Clinical Research, 11 (4). p. 61. ISSN 0974-2441

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Abstract

Objective: The purpose of this study is to explore the anticancer activity of morin compound against human cyclooxygenase-2 (COX-2) and peroxisome-proliferator-activated receptors (PPARs) isotypes (PPARα and PPARγ) through in silico molecular docking studies. Methods: The 3D structures of human COX-2 complexed with ibuprofen (PDB ID: 4PH9), PPARα complexed with a synthetic agonist and PPARγ complexed with indomethacin were retrieved from protein databank. The cocrystallized sites were considered as binding sites, and the docking with morin compound was performed and compared with their respective cocrystals for each target and compared their interactions and binding affinities. Results: Morin demonstrated better binding energy of -32.9528 kJ/mol against PPARα followed by COX-2 (-18.4311 kJ/mol) and PPARγ (-17.4228 kJ/mol). Conclusion: Morin compound could be a potential alternative in prevention of skin cancers by showing better activity against PPARα. © 2018 Elsevier B.V., All rights reserved.

Item Type: Article
Subjects: Medicine > Pharmacology
Divisions: Medicine > Vinayaka Mission's Kirupananda Variyar Medical College and Hospital, Salem > Biochemistry
Depositing User: Unnamed user with email techsupport@mosys.org
Last Modified: 08 Dec 2025 12:25
URI: https://vmuir.mosys.org/id/eprint/3867

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