HOME   |    PDF   |   


Molecular docking analysis of long-chain alkanes with the β-lactamase BEL-1 from P. aeruginosa


VR Gayathri1, B Prakash1,2,*, JV Yashika1, Subash Vetri Selvi3 & D. Jegadeesh Kumar4



1Department of Biotechnology, Vivekanandha College of Arts & Science for Women (Autonomous) Trichengode, Tamilnadu, India; 2Department of Biotechnology, Vels Institute of Science Technology & Advanced Studies, Chennai, Tamilnadu, India; 3Electroanalysis and Bioelectrochemistry Lab, Department of Chemical Engineering and Biotechnology, National Taipei University of Technology, Taipei 106, Taiwan, ROC; 4Chromopark Research Centre, Namakkal, Tamilnadu, India; *Corresponding Author



Prakash B - E-mail: prakazbt@gmail.com


Article Type

Research Article



Received April 6, 2022; Revised May 31, 2022; Accepted May 31, 2022, Published May 31, 2022



Pseudomonas aeruginosa is a gram-negative opportunistic bacterium that is a concern worldwide due to its innate antibiotic resistance properties. This warrants the development of non-antibiotic compounds that can potentially address the growing concern. Therefore, it is of interest to document the molecular docking analysis data of three long-chain alkanes, namely, eicosane, triacontane, and nonadecane with β-lactamase BEL-1. Data shows that nonadecane have good binding features and drug-likeness when compared to triacontane and nonadecane. It is well known that nonadecane is a compound that is abundantly available from natural resources for further consideration.



β-lactamase BEL-1, P. aeruginosa, nonadecane, long-chain alkanes



Gayathri et al. Bioinformation 18(5): 460-463 (2022)


Edited by

P Kangueane






Biomedical Informatics



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.