Preprint / Version 1

Evaluation of the active constituents of Nilavembu Kudineer for viral replication inhibition against SARS‐CoV‐2: An approach to targeting RNA‐dependent RNA polymerase (RdRp)

Authors

  • Anisha Kuriakose Department of Pharmacognosy, Amrita School of Pharmacy, Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus, Kochi, India
  • Bhagyalakshmi Nair Department of Pharmacognosy, Amrita School of Pharmacy, Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus, Kochi, India
  • Mohamed Abdelgawad Department of Pharmaceutical Chemistry, College of Pharmacy, Jouf University, Sakaka, Al Jouf, Saudi Arabia
  • Adeniyi Adewum Molecular Bio‐Computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu‐Natal, Westville Campus, Durban, South Africa
  • Mahmoud Soliman Molecular Bio‐Computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu‐Natal, Westville Campus, Durban, South Africa
  • Bijo Mathew Department of Pharmaceutical Chemistry, Amrita School of Pharmacy, Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus, Kochi, India
  • Lekshmi Nath Department of Pharmacognosy, Amrita School of Pharmacy, Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus, Kochi, India

Keywords:

COVID‐19, Nilavembu Kudineer, RNA‐dependent RNA polymerase, SARS‐CoV‐2, traditional medicine

Abstract

The World Health Organization has declared the novel coronavirus (COVID‐19) outbreak a global pandemic and emerging threat to people in the 21st century. SARS‐CoV‐2 constitutes RNA‐Dependent RNA Polymerase (RdRp) viral proteins, a critical target in the viral replication process. No FDA‐approved drug is currently available, and there is a high demand for therapeutic strategies against COVID‐19. In search of the anti‐COVID‐19 compound from traditional medicine, we evaluated the active moieties from Nilavembu Kudineer (NK), a poly‐herbal Siddha formulation recommended by AYUSH against COVID‐19. We conducted a preliminary docking analysis of 355 phytochemicals (retrieved from PubChem and IMPPAT databases) present in NK against RdRp viral protein (PDB ID: 7B3B) using COVID‐19 Docking Server and further with AutoDockTool‐1.5.6. MD simulation studies confirmed that Orientin (L1), Vitexin (L2), and Kasuagamycin (L3) revealed better binding activity against RdRp (PDB ID: 7B3B) in comparison with Remdesivir. The study suggests a potential scaffold for developing drug candidates against COVID‐19. Practical applications Nilavembu Kudineer is a poly‐herbal Siddha formulation effective against various diseases like cough, fever, breathing problems, etc. This study shows that different phytoconstituents identified from Nilavembu Kudineer were subjected to in silico and ADME analyses. Out of the former 355 phytochemical molecules, Orientin (L1), Vitexin (L2), and Kasuagamycin (L3) showed better binding activity against RdRp viral protein (PDB ID: 7B3B) in comparison with the synthetic repurposed drug. Our work explores the search for an anti‐COVID‐19 compound from traditional medicine like Nilavembu Kudineer, which can be a potential scaffold for developing drug candidates against COVID‐19. Keywords: COVID‐19, Nilavembu Kudineer, RNA‐dependent RNA polymerase, SARS‐CoV‐2, traditional medicine

Author Biographies

Anisha Kuriakose, Department of Pharmacognosy, Amrita School of Pharmacy, Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus, Kochi, India

Department of Pharmacology, Amrita School of Pharmacy, Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus, Kochi, India

Bhagyalakshmi Nair, Department of Pharmacognosy, Amrita School of Pharmacy, Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus, Kochi, India

Department of Pharmacology, Amrita School of Pharmacy, Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus, Kochi, India