In silico analysis of new flavonoids from Pongamia pinnata with a therapeutic potential for age-related macular degeneration

• Published in: 3 Biotech Vol. 10; no. 12
• Main Authors: Das, Srijan, Tiwari, Gopal J., Ghosh, Anindita
• Format: Journal Article
• Language: English
• Published: Cham Springer International Publishing 01.12.2020; Springer Nature B.V
• Subjects: Age; Age related diseases; Agriculture; Bioinformatics; Biomaterials; Biotechnology; Cancer Research; Chemical compounds; Chemistry; Chemistry and Materials Science; Curing agents; Eye diseases; Flavonoids; Flavonols; Macular degeneration; Molecular docking; Peroxisome proliferator-activated receptors; Pharmacology; Pongamia pinnata; Quercetin; Receptors; Short Reports; Stem Cells; TLR3 protein; Toll-like receptors; Macular degeneration; Receptors; Flavonoids; ADME; Docking; Antioxidant; Radical scavenging
• ISSN: 2190-572X; 2190-5738
• DOI: 10.1007/s13205-020-02537-2

Age-related macular degeneration (AMD) leads to progressive degeneration of the macula which ultimately results in the complete loss of central vision. The present study aims to identify the new therapeutic agents for curing AMD. In the present study we have isolated, and compared the activity of natural flavonoids (Karanjin, Karanjachromene, Pongachromene, Pongapin) from plant species Pongamia pinnata (L.) Pierre (Family: Fabaceae) with known flavonol, Quercetin, and a drug Pazopanib through in silico approaches. Chemical structures of isolated flavonoids passed the ADME and PASS analysis, showed drug-like properties without violation of Lipinski parameters. Molecular docking studies were also performed for all isolated flavonoids with the receptors responsible for AMD viz. P2X7, PPAR, RAGE, and TLR3. Docking scores of the flavonoids with the receptors were found to be comparable to that of Quercetin, and Pazopanib (drugs already known for AMD treatment). Among all the flavonoids, Karanjachromene [P2X7 (− 31.39)] and Pongachromene [PPAR (− 65.13), RAGE (− 43.42)] showed a very good binding affinity with receptors predicting them to be the new potent chemical entities for the treatment of AMD.