Molecular docking analysis of flavonoids with aldose reductase

Kasthuri Kannayiram; Vidhya Rekha Umapathy; Y Chamundeswari; J H Fathima; Ramajayam Govindan; Chella Perumal Palanisamy; Vishnu Priya Veeraraghavan; Selvaraj Jayaraman; Ponnulakshmi Rajagopal

doi:10.6026/97320630018180

Molecular docking analysis of flavonoids with aldose reductase

Bioinformation. 2022 Mar 31;18(3):80-83. doi: 10.6026/97320630018180. eCollection 2022.

Authors

Kasthuri Kannayiram¹, Vidhya Rekha Umapathy², Y Chamundeswari³, J H Fathima⁴, Ramajayam Govindan⁵, Chella Perumal Palanisamy⁶, Vishnu Priya Veeraraghavan⁷, Selvaraj Jayaraman⁷, Ponnulakshmi Rajagopal³

Affiliations

¹ Department of Biochemistry, Tagore Medical College and Hospital, Melakottaiyur, Chennai, India.
² Department of Public HealthDentistry, Sree Balaji Dental College and Hospital, Pallikaranai, Chennai-600 100, India.
³ Department of Biochemistry, Allied Health science, Dr. M.G.R Educational and Research Institute, Chennai India.
⁴ Department of Oral and Maxillofacial Pathology, Ragas Dental College and Hospitals, Chennai, India.
⁵ Multi Disciplinary Research Unit, Madurai Medical College, TamilNadu, India.
⁶ State 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.
⁷ Department of Biochemistry, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Chennai, India.

Abstract

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.

Keywords: Diabetes; aldose reductase; flavonoids; molecular docking.