Siddhartha Pandurangi,
- Student Department of Biotechnology, M.S. Ramaiah University of Applied Sciences, Bengaluru Karnataka India
Abstract
Objectives: Duchenne muscular dystrophy is a genetic disorder. This disease affects men more common than it does women. Main objective is to identify the naturally active phytocompounds from Withania somnifera (Ashwagandha). Ashwagandha has a great value in the field of Ayurveda and Indian medicine and is used for treating muscular and neurological disorders. Toxicity prediction, molecular docking, statistical information, drug illness prediction, and Absorption, distribution, metabolism, excretion, and toxicity (ADMET) analysis are used to predict the phytocompounds as a drug. Methods: Protein Data bank (PDB) database was used to retrieve the Dystrophin protein and its chains. The poor binding affinity of the ligands with the targeted protein was removed. Toxicity and ADME analysis were done using ADMET lab 2.0 and Swiss ADME tools respectively and molecular docking was done using PyRx. Results: The Ramachandran plot displays the protein’s dihedral angles ψ against φ. ADMET analysis and molecular docking results showed Withaferine A, Somniferine, Coagulin Q, Physagulin D, Viscosalactone B have effective binding affinity towards Dystrophin protein and possess the properties of a drug which is safe to consume. Conclusion: Previous and present studies suggest that Withaferine A, Somniferine, Coagulin Q, Physagulin D, and Viscosalactone B could inhibit the A, B, C, and D chains of the Human Dystrophin protein and have effective binding affinity. The therapeutic strategies against Duchenne Muscular Dystrophy are based on molecular docking and ADMET analysis. Thus, the phytocompounds of Ashwagandha can be potential drug candidates.
Keywords: Duchenne muscular dystrophy, withania somnifera, ADMET analysis, molecular docking, ramachandran plot.
[This article belongs to Research & Reviews: A Journal of Pharmaceutical Science(rrjops)]
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References
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Research & Reviews: A Journal of Pharmaceutical Science
| Volume | 15 |
| Issue | 02 |
| Received | May 10, 2024 |
| Accepted | June 14, 2024 |
| Published | July 19, 2024 |