Molecular Docking of some Neem Constituents with COX-2 and NOs: An in silico Study

Jun
11
2020
By tahmed

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Abstract
Pharmacognosy Communications,2020,10,3,134-135.
DOI:10.5530/pc.2020.3.26
Published:July 2020
Type:Research Article

Molecular Docking of some Neem Constituents with COX-2 and NOs: An in silico Study

Sambhav Jain, Aditya Ganeshpurkar*, Nazneen Dubey

Shri Ram Institute of Technology-Pharmacy, Jabalpur, Madhya Pradesh, INDIA.

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.

Keywords:Azadirachtaindica is, Docking COX-2, Infections, Isomeldenin, Neem, Nimbandiol, NOs, Pain, β-sitosterol

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Docking interaction of some neem constituents with COX-2. β-sitosterol (b)isomeldenin (c)nimbandiol
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Cite This Article

Vancouver Style :: Jain S, Ganeshpurkar A, Dubey N. Molecular Docking of some Neem Constituents with COX-2 and NOs: An in silico Study. Pharmacognosy Communications. 2020;10(3):134-135.  (571.17 KB)
MLA Style: Jain S, Ganeshpurkar A, Dubey N. Molecular Docking of some Neem Constituents with COX-2 and NOs: An in silico Study. Pharmacognosy Communications. 2020;10(3):134-135.  (571.17 KB)
CSE Style: Jain S, Ganeshpurkar A, Dubey N. Molecular Docking of some Neem Constituents with COX-2 and NOs: An in silico Study. Pharmacognosy Communications. 2020;10(3):134-135.  (571.17 KB)
APA Style: Jain S, Ganeshpurkar A, Dubey N. Molecular Docking of some Neem Constituents with COX-2 and NOs: An in silico Study. Pharmacognosy Communications. 2020;10(3):134-135.  (571.17 KB)

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