Computational Screening of Lichen Derived Biopotents as an Antiviral Drug Against Infectious Proteins of SARS CoV-2
SARS CoV-2 is a contagious disease which emerged as a global pandemic causing several deaths. The current research aims to unveil the novel antiviral drug design utilising the authentic natural bioactives derived from lichens, as there is a demand for natural drug than synthetic since it triggers the adverse conditions on human health. The ten core proteins causing infection such as Spike proteins, Main Protease and Glycoproteins were targeted for suppressing the replicating process in virus. Insilico screening have been performed to analyze the linkage of SARS protein against seven lichen compounds L (1-7) (Methyl-γ-oresellinate, Roccellatol, Atranorin, Usnic acid, Oresellinate, 2-Hydroxy- [1], [4] naphthoquinone and N-Benzoyl-2-hydroxy-benzamide) through docking. The docked scores reveals the higher binding affinity of 5RE9 with L-7 (-8.2), L-3&4 (-8.1) and 5REA with L4 (-8), L-3 (-8.1) proves that the natural ligand compounds are effective than the standard drug. The Drug likeness and Pharmacokinetic factors of the compounds had been validated through SWISS ADME tool which satisified the criteria with bioavailabilty score (0.55), indicating favourable characteristics for a drug candidate. These results exemplifies that the naturally derived lichen compounds could be a better alternative Pharmaceuticals for SARS CoV-2 than the synthetic medicines.
Authors
- Syed Zameer Ahmed Khader
- Preethi Rajan
- Sidhra Syed Zameer Ahmed
- P. Saravanan
- M. Muthukumar (ORCID: https://orcid.org/0000-0002-8071-6492)
- Moovin Sugavaneswaran
Publication Details
- Published
- 2025-04-29
- DOI
- https://doi.org/10.1109/aimla63829.2025.11040652
- Primary Topic
- Lichen and fungal ecology
- Type
- article
- Field-Weighted Citation Impact
- 0.00