ISJ Theoretical & Applied Science 05(121) 2023

Philadelphia, USA

Mengnorov, I., & Khujamshukurov, N. A.

Molecular docking studies of Cu(II), Zn(II), Co(II), Ni(II) complexes with abscisic acid and monoethanolamine.

Full Article: PDF

Scientific Object Identifier: http://s-o-i.org/1.1/TAS-05-121-61

DOI: https://dx.doi.org/10.15863/TAS.2023.05.121.61

Language: English

Citation: Mengnorov, I., & Khujamshukurov, N. A. (2023). Molecular docking studies of Cu(II), Zn(II), Co(II), Ni(II) complexes with abscisic acid and monoethanolamine. ISJ Theoretical & Applied Science, 05 (121), 601-606. Soi: http://s-o-i.org/1.1/TAS-05-121-61 Doi: https://dx.doi.org/10.15863/TAS.2023.05.121.61

Pages: 601-606

Published: 30.05.2023

Abstract: The protein-ligand binding studies of [Me(ABA)2(MEA)] and [Me(ABA)2(MEA)2] (here, Me= Cu(II), Zn(II), Co(II), Ni(II); ABA= abscisic acid; MEA= monoethanolamine) complexes with AtTIR1 protein (PDB ID: 2P1O) have been carried out using CB-Dock2 server. The binding energies of coordination compounds to the target 2P1O protein are significantly improved compared to the ABA or MEA molecule. Zinc and copper coordination compounds with two ABA molecules and one MEA molecule interact with the protein more strongly than other compounds, forming an H-bond with the following amino acid residues ARG9, TYR298, ARG344 and ARG403.

Key words: Abscisic acid, monoethanolamine 2P1O, docking studies, PDB database.