Molecular docking analysis of COX-2 with compounds from Piper longum

Dhirendra Tripathi; Sravanthi Koora; K Satyanarayana; S Saleem Basha; Selvaraj Jayaraman

doi:10.6026/97320630017623

Molecular docking analysis of COX-2 with compounds from Piper longum

Bioinformation. 2021 Jun 30;17(6):623-627. doi: 10.6026/97320630017623. eCollection 2021.

Authors

Dhirendra Tripathi¹, Sravanthi Koora², K Satyanarayana³, S Saleem Basha⁴, Selvaraj Jayaraman⁵

Affiliations

¹ Department of Otorhinolaryngology, Government Medical College, Shivpuri, Shivpuri - 473638.
² Department of Pharmacology, Government Medical College Siddipet 502103, Siddipet, Telangana.
³ Department of Biochemistry, Government Medical College Siddipet,Siddipet 502103, Telangana India.
⁴ Department of Medical Biochemistry, School of Medicine, Haramaya university, Harar Campus,Ethiopia.
⁵ Department of Biochemistry, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences,Chennai-600 077, Indi.

Abstract

Piper longum (Indian long pepper) is known for its use as an anti inflammatory agent in Indian Ayurvedic System of medicine. Therefore, it is of interest to document the molecular docking analysis of compounds from Piper longum with COX-2 using the Autodock Vina PyRx tool. Molecular docking results show that asarinine, sesamine, fargesin, and piperlonguminine have optimal binding energy of 10, 10, -9.5 and 9.4 Kcal/mol, respectively for further consideration.

Keywords: Anti-inflammatory compunds; COX-2; Piper longum; molecular docking.