Title

Molecular docking analysis and dynamics simulation of salbutamol with the monoamine oxidase B (MAO-B) enzyme

Authors

Hasanain Abdulhameed Odhar*, Ahmed Fadhil Hashim & Suhad Sami Humadi

Affiliation

Department of pharmacy, Al-Zahrawi University College, Karbala, Iraq; *Corresponding author

Email

Hasanain Abdulhameed Odhar – E-mails: hassaninathar@g.alzahu.edu.iq & hodhar3@gmail.com; Phone: +9647725300923

Ahmed Fadhil Hashim - E-mail: ahmedfadhil@g.alzahu.edu.iq

Suhad Sami Humadi - E-mail: suhad@g.alzahu.edu.iq

Article Type

Research Article

Date

Received March 16, 2022; Revised March 27, 2022; Accepted March 31, 2022, Published March 31, 2022

The monoamine oxidase B (MAO-B) enzyme is linked with Parkinson’s disease. Therefore, it is of interest to document the molecular docking analysis and dynamics simulation of salbutamol, a well-known β2-adrenoceptor agonist, with the monoamine oxidase B (MAO-B) enzyme for further consideration in drug design and development.

Keywords

Salbutamol; MAO-B; Parkinson’s disease; docking; molecular dynamics simulation

Citation

Odhar et al. Bioinformation 18(3): 304-309 (2022)

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.