Identification of potent aldose reductase inhibitors as antidiabetic (Anti-hyperglycemic) agents using QSAR based virtual Screening, molecular Docking, MD simulation and MMGBSA approaches

Identification of potent aldose reductase inhibitors as antidiabetic (Anti-hyperglycemic) agents using QSAR based virtual Screening, molecular Docking, MD simulation and MMGBSA approaches

The aldose reductase (AR) enzyme is an important target enzyme in the development of therapeutics against hyperglycaemia induced health complications such as retinopathy, etc. In the present study, a quantitative structure activity relationship (QSAR) evaluation of a dataset of 226 reported AR inhib...

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Bibliographic Details
Main Authors: Ravindra L. Bakal, Rahul D. Jawarkar, J.V. Manwar, Minal S. Jaiswal, Arabinda Ghosh, Ajaykumar Gandhi, Magdi E.A. Zaki, Sami Al-Hussain, Abdul Samad, Vijay H. Masand, Nobendu Mukerjee, Syed Nasir Abbas Bukhari, Praveen Sharma, Israa Lewaa
Format: Article
Language:English
Published: Elsevier 2022-06-01
Series:Saudi Pharmaceutical Journal
Subjects:
QSAR
Antidiabetic
Aldose reductase
GA-MLR
Molecular Docking
MDS
Online Access:http://www.sciencedirect.com/science/article/pii/S1319016422001025

Internet

http://www.sciencedirect.com/science/article/pii/S1319016422001025

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