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Title

Molecular docking analysis of phytocompounds from Acacia farnesiana with protein targets linked to bronchitis

 

Authors

Mallikarjun S Beelagi1, Manoj Manjunath Bongale2, Anisha S Jain6, Kollur Shiva Prasad3,
Sharanagouda S Patil4, Govindappa Mellappa5, Chandan Dharmashekar1, P Ashwini6, R Triveni7, Chandan Shivamallu1, *, Chandrashekar Srinivasa2,*

 

Affiliation

1Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru, Karnataka 570015, India. 2Department of studies in Biotechnology, Davangere University, Davangere 577007, Karnataka, India; 3Department of Sciences, Amrita School of Arts and Sciences, Amrita Vishwa Vidyapeetham, Mysuru Campus, Mysuru, Karnataka 570 026, India. 4ICAR, National Institute of Veterinary Epidemiology and Disease Informatics (NIVEDI), Yelahanka, Bengaluru 560064, India. 5Department of Studies in Botany, Davangere University, Davangere 577007, Karnataka, India. 6Department of Microbiology, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru, Karnataka–570 015, India; 7Sri HN Ananth Kumar, P.U. College, Bidadi 562109, Karnataka, India;

 

Email

*Correspondence: chandans@jssuni.edu.in (CS); chandru.s@davangereuniversity.ac.in

 

Article Type

Research Article

 

Date

Acacia farnesiana, acute bronchitis, molecular docking, discovery studio, phytocompounds

 

Abstract

Acute bronchitis is a lower respiratory tract lung infection that causes bronchial inflammation. The known protein drug targets are peptidoglycan D, Dtranspeptidase, and DNA topoisomerase 4 subunit A for bronchitis linked infections. These are the membrane associated macromolecules which takes a major role in the formation of cell wall membrane by synthesising the cross-linked peptidoglycan. Therefore, it is of interest to design molecules with improved binding features with these protein targets. Hence, we document the molecular docking analysis data of four phytocompounds from Acacia farnesiana having
optimal binding features with these targets linked to bronchitis for further consideration.

 

Keywords

Acacia farnesiana, acute bronchitis, molecular docking, discovery studio, phytocompounds

 

Citation

Beelagi et al. Bioinformation 17(5): 557-567 (2021)

 

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.