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- Title
Molecular Docking of some Neem Constituents with COX-2 and NOs: An in silico Study.
- Authors
Jain, Sambhav; Ganeshpurkar, Aditya; Dubey, Nazneen
- Abstract
Introduction: Azadirachta indica is commonly known as Neem, is found abundantly in India. This plant is used in the treatment of infections, pain and wounds. Methods: The aim of present study to investigate in silico molecular docking study used for three phytoconstituents ß-sitosterol(22,23-Dihydrostigmasterol, Stigmast-5-en-3-ol, ß -Sitosterin), isomeldenin and nimbandiol from Azadirachtaindica to identify whether these compounds interact with the COX-2 and NOs. The structure of neem constituents were downloaded from Pubchem and structure of enzymes/proteins were obtained from protein data bank. Results: Among all the compounds ß-sitosterol and nimbandiol showed best docking score. Conclusion: Further cell culture-based studies might ensure the interaction of these constituents with COX-2 and NOs.
- Subjects
INDIA; MOLECULAR docking; NEEM; DATABASES
- Publication
Pharmacognosy Communications, 2020, Vol 10, Issue 3, p134
- ISSN
2249-0159
- Publication type
Article
- DOI
10.5530/pc.2020.3.26