Molecular Docking Study for Binding Affinity of 2 H-thiopyrano[2,3- b]quinoline Derivatives against CB1a

Shivangi Sharma; Shivendra Singh

doi:10.1155/2023/1618082

Molecular Docking Study for Binding Affinity of 2 H-thiopyrano[2,3- b]quinoline Derivatives against CB1a

Interdiscip Perspect Infect Dis. 2023 Jan 9:2023:1618082. doi: 10.1155/2023/1618082. eCollection 2023.

Authors

Shivangi Sharma¹, Shivendra Singh¹

Affiliation

¹ Department of Applied Chemistry, Amity School of Applied Sciences, Amity University Madhya Pradesh, Gwalior, Madhya Pradesh 474005, India.

Abstract

Quinoline-based molecules are major constituents in natural products, active pharmacophores, and have excellent biological activities. Using 2H-thiopyrano[2,3-b]quinoline derivatives and CB1a protein (PDB ID: 2IGR), the molecular docking study has been revealed in this article. The study of in silico molecular docking analysis of such derivatives to determine the binding affinity, residual interaction, and hydrogen bonding of several 2H-thiopyrano[2,3-b]quinolines against CB1a is reported here. The current work demonstrated that 2H-thiopyrano[2,3-b]quinoline derivatives could be effective antitumor agents to produce potent anticancer medicines in the near future.