Computer-Aided Drug Designing of Ocimum basilicum Compounds as Therapeutic Agents against RdRp of SARS-CoV2

Computer-Aided Drug Designing of Ocimum basilicum Compounds


  • Mehwish Shafiq Department of Biotechnology, Kinnaird College for Women, Lahore, Pakistan
  • Rashid Saif Decode Genomics, Punjab University Employees Housing Scheme, Lahore, Pakistan
  • Laraib Ali Department of Biotechnology, Kinnaird College for Women, Lahore, Pakistan
  • Tuba Ahmad Department of Biochemistry, Kinnaird College for Women, Lahore, Pakistan
  • Iram Anjum Department of Biotechnology, Kinnaird College for Women, Lahore, Pakistan
  • Anood Sohail Department of Biotechnology, Kinnaird College for Women, Lahore, Pakistan



SARS-Cov-2, COVID-19, Ocimum basilicum, Molecular Docking, Nevadensin


The prevailing situation of the World is challenging due to COVID-19 pandemic that is caused by SARS-CoV2.  Objectives: To combat with this emerging pandemic by reducing disease severity and infection, the need of hour is to develop an effective vaccine and antiviral candidates as therapeutic agents against SARS-CoV2. Methods: This study was developed for the identification of potential anti-viral agents, from Ocimum basilicum against RdRp of SARS-CoV2. In this concern, nevadensin, ursolic acid, β-Sesquiphellandren, apigenin, nerolidol, nonyl acetate and geranyl acetate were screened out of fifty-seven compounds from Ocimum basilicum based on their best docking scores. The docking results were also compared with already clinically used drugs (Remdesivir and Ribavirin) against the RdRp of SARS-CoV2. Molecular docking was performed using MOE software. The ADMET analysis and drug likeliness were also performed for all screened compounds by using admetSAR, pkCSM and SwissADME. Results: Cumulatively, the optimum binding energies of screened compounds indicated their potential for drug development against SARS-CoV2. It appears promising that nevadensin exhibited a good docking score and high binding affinity towards RdRp of SARS-CoV2. Therefore, it may represent the potential to inhibit COVID-19. Conclusion: Hence, Ocimum basilicum nutraceuticals could be effective therapeutic candidates for the treatment and prevention of COVID-19.


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DOI: 10.54393/fbt.v2i02.5
Published: 2022-12-31

How to Cite

Shafiq, M., Saif , R., Ali, L., Ahmad, T., Anjum, I., & Sohail, A. (2022). Computer-Aided Drug Designing of Ocimum basilicum Compounds as Therapeutic Agents against RdRp of SARS-CoV2: Computer-Aided Drug Designing of Ocimum basilicum Compounds. Futuristic Biotechnology, 2(02), 19–23.



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