Molecular Docking of some Neem Constituents with COX-2 and NOs: An in silico Study
Sambhav Jain1, Aditya Ganeshpurkar1★, Nazneen Dubey1★ Corresponding author
- 1Shri Ram Institute of Technology-Pharmacy, Jabalpur, Madhya Pradesh, INDIA.
CORRESPONDENCE
Aditya Ganeshpurkar
Shri Ram Institute of Technology-Pharmacy, Jabalpur, Madhya Pradesh, INDIA.
Volume 10, Issue 3 · pp. 134–135 · PUBLISHED · DOI: 10.5530/pc.2020.3.26
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 β-sitosterol(22,23-Dihydrostigmasterol, Stigmast-5-en-3-ol, β -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 β-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.
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Jain, S., Ganeshpurkar, A., & Dubey, N. (). Molecular Docking of some Neem Constituents with COX-2 and NOs: An in silico Study. Pharmacognosy Communications, 10(3), 134–135. https://doi.org/10.5530/pc.2020.3.26