Sambhav Jain, Aditya Ganeshpurkar*, Nazneen Dubey
Shri Ram Institute of Technology-Pharmacy, Jabalpur, Madhya Pradesh, INDIA.
Published: July 2020
Type: Research Article
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.
Key words:Azadirachtaindic, Docking COX-2, Infections,Isomeldenin, Neem, Nimbandiol, NOs, Pain, β-sitosterol.