LAPSE:2023.2971
Published Article
LAPSE:2023.2971
Implementation of System Pharmacology and Molecular Docking Approaches to Explore Active Compounds and Mechanism of Ocimum Sanctum against Tuberculosis
Sana Tabassum, Hafiz Rameez Khalid, Waqar ul Haq, Sidra Aslam, Abdulrahman Alshammari, Metab Alharbi, Muhammad Shahid Riaz Rajoka, Mohsin Khurshid, Usman Ali Ashfaq
February 21, 2023
Abstract
Worldwide, Tuberculosis (TB) is caused by Mycobacterium tuberculosis bacteria. Ocimum sanctum, commonly known as holy basil (Tulsi), is an herbaceous perennial that belongs to the family Lamiaceae and is considered one of the most important sources of medicine and drugs for the treatment of various diseases. The presented study aims to discover the potential phenomenon of Ocimum sanctum in the medicament of tuberculosis using a network pharmacology approach. Active ingredients of Ocimum sanctum were fetched through two different databases and from literature review and then targets of these compounds were harvested by SwissTargetPrediction. Potential targets of TB were downloaded from GeneCards and DisGNet databases. After screening of mutual targets, enrichment analysis through DAVID was performed. Protein−protein interaction was performed using the String database and visualized by Cytoscape. Then the target-compound-pathway network was constructed with Cytoscape. In the end, molecular docking was performed to get the potential active ingredients against tuberculosis. Eight active ingredients with 776 potential therapeutic targets were obtained from O. sanctum, 632 intersected targets from two databases were found in TB, 72 common potential targets were found from TB and O. sanctum. The topological analysis exposes those ten targets that formed the core PPI network. Furthermore, molecular docking analysis reveals that active compounds have the greater binding ability with the potential target to suppress TB.
Keywords
network pharmacology, Ocimum sanctum, tuberculosis
Subject
Suggested Citation
Tabassum S, Khalid HR, Haq WU, Aslam S, Alshammari A, Alharbi M, Riaz Rajoka MS, Khurshid M, Ashfaq UA. Implementation of System Pharmacology and Molecular Docking Approaches to Explore Active Compounds and Mechanism of Ocimum Sanctum against Tuberculosis. (2023). LAPSE:2023.2971
Author Affiliations
Tabassum S: Department of Bioinformatics and Biotechnology, Government College University, Faisalabad 38000, Pakistan
Khalid HR: Department of Bioinformatics and Biotechnology, Government College University, Faisalabad 38000, Pakistan [ORCID]
Haq WU: Centre of Agricultural Biochemistry and Biotechnology (CABB), University of Agriculture, Faisalabad 38000, Pakistan
Aslam S: Department of Bioinformatics and Biotechnology, Government College University, Faisalabad 38000, Pakistan
Alshammari A: Department of Pharmacology and Toxicology, College of Pharmacy, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia
Alharbi M: Department of Pharmacology and Toxicology, College of Pharmacy, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia
Riaz Rajoka MS: Laboratory of Animal Food Function, Graduate School of Agricultural Science, Tohoku University, Sendai 980-8572, Japan [ORCID]
Khurshid M: Department of Microbiology, Government College University, Faisalabad 38000, Pakistan [ORCID]
Ashfaq UA: Department of Bioinformatics and Biotechnology, Government College University, Faisalabad 38000, Pakistan [ORCID]
Journal Name
Processes
Volume
10
Issue
2
First Page
298
Year
2022
Publication Date
2022-02-02
ISSN
2227-9717
Version Comments
Original Submission
Other Meta
PII: pr10020298, Publication Type: Journal Article
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LAPSE:2023.2971
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https://doi.org/10.3390/pr10020298
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Feb 21, 2023
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