Computational biology of antibody epitope, tunnels and pores analysis of protein glutathione S-transferase P, and quantum mechanics.

ABSTRACT: Different tissues of various plants contain allelochemicals such as phenolics, flavonoids, etc., which exhibit antioxidants and protect the plants from harmful infections. The widespread group of plant allelochemicals in the ecosystem is phenolic compounds. They are substances composed of an aromatic hydrocarbon group and a hydroxyl group. The 3-Hydroxyflavone skeleton of flavonol has a phenolic and a hydroxyl substitution. A comparison of experimental and calculated data of FT-IR and Raman was studied for the vibrational assessment of these allelochemicals. PES scan and molecular geometry analysis are done for the conformation of the 3-Hydroxyflavone ligand. 3-Hydroxyflavone is docked with the three proteins of Homo sapiens such as Prothrombin with 622 amino acids synthesized in th

SUBMITTER: Chandramohan UM 

PROVIDER: S-EPMC10690416 | biostudies-literature | 2023 Dec

REPOSITORIES: biostudies-literature