Binding Energy Calculation of Patchouli Alcohol Isomer Cyclooxygenase Complexes Suggested as COX-1/COX-2 Selective Inhibitor

To understand the structural features that dictate the selectivity of the two isoforms of the prostaglandin H2 synthase (PGHS/COX), the three-dimensional (3D) structure of COX-1/COX-2 was assessed by means of binding energy calculation of virtual molecular dynamic with using ligand alpha-Patchouli a...

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Bibliographic Details
Published in:Adv Bioinformatics
Main Authors: Raharjo, Sentot Joko, Mahdi, Chanif, Nurdiana, Nurdiana, Kikuchi, Takheshi, Fatchiyah, Fatchiyah
Format: Artigo
Language:Inglês
Published: Hindawi Publishing Corporation 2014
Subjects:
Research Article
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC4251649/
https://ncbi.nlm.nih.gov/pubmed/25484897
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1155/2014/850628
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