Title

Design, synthesis, docking, Hirshfeld surface analysis and DFT calculations of 2-methylxanthen-9-with the FtsZ protein from Staphylococcus aureus

Authors

V Lakshmi Ranganatha¹, Mallikarjunaswamy C², Jagadeep Chandra S³, Ramith Ramu^4,$, Prithvi S Shirahatti⁵, Naveen Kumar⁶, Sowmya B P⁶, Hussien Ahmed Khamees⁷, Mahendra Madegowda⁷, Shaukath Ara Khanum^8,*

Affiliation

¹Department of Chemistry, The National Institute of Engineering, Manandavadi Road, Mysuru 570008; ²PG Department of Chemistry, JSS College of Arts, Commerce and Science, Ooty Road, Mysuru-570025, Karnataka, India; ³Department of Microbiology, School of Life Sciences, JSS Academy of Higher Education and Research, SS Nagar, Mysuru-570015; ⁴Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, SS Nagar, Mysuru-570015, Karnataka, India; ⁴Department of Biotechnology, Teresian College, Siddhartha Nagara, Mysuru, India; ⁵Department of Chemistry, Sri Dharmasthala Manjunatheshwara Post-Graduation Center, Ujire – 574240; ⁶Department of Studies in Physics, Manasagangotri, University of Mysore, Mysuru, 570006, Karnataka, India; ⁷Department of Chemistry, Yuvaraja’s College (Autonomous), University of Mysore, Mysuru-570 005.

Email

Dr. Ramith Ramu – Phone: +91 – 9986380920, Email: ramith24prince@gmail.com

Article Type

Research Article

Date

Received February 28, 2021; Revised March 10, 2021; Accepted March 11, 2021, Published March 31, 2021

It is of interest to document the design, synthesis, docking, Hirshfeld surface analysis and DFT calculations of 2-methylxanthen-9-with the FtsZ protein (PDB ID: 3VOB) from Staphylococcus aureus for antimicrobial applications. We report the quantitative structure
function data in this context.

Keywords

Synthesis, 2-Methylxanthen-9-one, antimicrobial, docking and DFT.

Citation

Lakshmi Ranganatha et al. Bioinformation 17(3): 393-403 (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.