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Molecular docking analysis of flavonoids with aldose reductase


Kasthuri Kannayiram1, Vidhya Rekha Umapathy2, Y. Chamundeswari3, J.H. Fathima4, Ramajayam Govindan5, Chella Perumal Palanisamy6, Vishnu Priya Veeraraghavan7, Selvaraj Jayaraman7,* & Ponnulakshmi Rajagopal8



1Department of Biochemistry, Tagore Medical College and Hospital, Melakottaiyur, Chennai, India; 2Department of Public Health Dentistry, Sree Balaji Dental College and Hospital, Pallikaranai, Chennai-600 100, India; 3Department of Biochemistry, Allied Health science, Dr. M.G.R Educational and Research Institute, Chennai India; 4Department of Oral and Maxillofacial Pathology, Ragas Dental College and Hospitals, Chennai, India; 5Multi Disciplinary Research Unit, Madurai Medical College, Tamilnadu, India; 6State Key Laboratory of Bio-based Materials and Green Papermaking, College of Food Science and Engineering, Qilu University of Technology, Shandong Academy of Science, Jinan 250353, China; 7Department of Biochemistry, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Chennai, India; *Corresponding author



Kasthuri Kannayiram - E-mail: kasthuridivaagar@gmail.com

Vidhya Rekha Umapathy - E-mail: drvidhyarekha@gmail.com

Y Chamundeswari - E-mail: chamundeswariyaragorla@gmail.com

JH Fathima - E-mail: shaziafathimarizwan@gmail.com

Ramajayam Govindan -E-mail: endoibmsramajayam@gmail.com

Chella Perumal Palanisamy - E-mail: perumalbioinfo@gmail.com

Vishnu Priya Veeraraghavan - E-mail: drvishnupriayav@gmail.com

Selvaraj Jayaraman - E-mail: selvarajj.sdc@saveetha.com

Ponnulakshmi Rajagopal - E-mail: ragslaks@gmail.com


Article Type

Research Article



Received November 28, 2021; Revised March 21, 2022; Accepted March 31, 2022, Published March 31, 2022



Diabetes mellitus is a group of metabolic disorders that has risen to become the third most common cause in humans in recent years. The development of new bioactive substances from natural sources is a relatively new area. Flavonoids are believed to have a variety of beneficial properties in nature, including anti-inflammatory, antimicrobial, anticancer, antioxidant, neuroprotective, and anti-HIV properties. 15 naturally occurring flavonoids docked with the selected target aldose reductase. We report the optimal binding of Acumitin, Agathisflavone, Agehoustin B, and alpha-Toxicarol with aldose reductase for further consideration in drug discovery for T2DM.



Diabetes, molecular docking, aldose reductase, flavonoids



Kannayiram et al. Bioinformation 18(3): 180-183 (2022)


Edited by

P Kangueane






Biomedical Informatics



This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.