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International Journal of Health and Allied Sciences

Prajwal Bhanu, Department of Studies in Biotechnology, Davangere University, Shivagangotri, Davangere, India
Sushma Pradeep, Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research,Mysuru, India
Pruthvish Reddy, Department of Biotechnology, Acharya Institute of Technology, Bengaluru, Karnataka – 560107, India
Prashanth Vishwanath, Department of Biochemistry, JSS Medical College and Hospital, Mysuru, India
Sumanth R M, Department of OBG, JSS Medical College and Hospital, Mysuru, India
Girish M S, Department of Pediatric and Preventive Dentistry, JSS Dental College and Hospital, JSS Academy of Higher Education and Research,Mysuru, India
Bhargav Shreevatsa, Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research,Mysuru, India
Anisha S. Jain, Department of Microbiology, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru, India
Chandan Dharmashekara, Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru, India
Shiva Prasad Kollur, Department of Sciences, AmritaSchool of Arts and Sciences, Amrita Vishwa Vidyapeetham, Mysuru Campus, Mysuru, India
Sai Chakith MR, Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru, India
Ashwini P, Department of Biochemistry, JSS Medical College and Hospital, Mysuru, India
Chandan Shivamallu, Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru, IndiaFollow
Chandrashekar Srinivasa, Department of Studies in Biotechnology, Davangere University, Shivagangotri, Davangere, IndiaFollow

Abstract

Streptococcus pneumoniae, a gram-positive cocci bacterium found in the oral cavity and nasopharynx of humans causes acute respiratory infections and pneumonia progression. This study aims to identify highly susceptible, antimicrobial, therapeutic phytochemicals from the leaf extract of the medicinal Carica papaya plant which acts as antibiotic by inhibiting the mechanism of action of Streptococcus species. Using an in silico molecular docking approach, the 3D ligand structures of the screened phytoconstituents of Carica papaya are made to dock with the active pocket of targeted proteins i.e. Cytidine deaminase, 5' methylthionadenosine/S-Adenosylhomocysteine nucleosidase and phosphomevalonate Kinase in Complex with Phosphomevalonate and AMPPNP with PDB ID 6K63, 1ZOS, 3GON respectively of S. pneumoniaepneumoniae to determine and interpret the binding affinity, hydrophobic interactions, hydrogen bonds and finally listed based on the decreasing order of their negative binding energy value using bioinformatics tools. The Epigallocatechin Gallate and Mauritianin ligands exhibited the least binding affinity of -9.5 and -9.4 respectively towards the targeted protein Phosphomevalonate Kinase in Complex with Phosphomevalonate and AMPPNP with PDB ID 3GON. The Epigallocatechin Gallate and Mauritianin organic bioactive phytoconstituent molecules could be used as the best alternative to the standard drugs to inhibit the predominant proteins involved in causing pneumonia progression.

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