Molecular Docking of Catharanthus Roseus Bioactive Compounds of Targetinging Bovine Leukaemia Virus

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Volume: 11 | Issue: 2 | Year 2025 | Subscription
International Journal of Animal Biotechnology and Applications
Received Date: 05/16/2025
Acceptance Date: 06/23/2025
Published On: 2025-10-08
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By: Cristin C. Biju

Student, Department of Life Science, Kristu Jayanti College, Autonomous Jayanti College, Autonomous, Bengaluru, Karnataka, India

Abstract

Therapeutic potential of Catharanthus roseus bioactive compounds as the 4PHO protein inhibitors, a pathogenetic determinative factor of BLV. This work describes the use of computational drug discovery approaches in estimating the interactions conducted between 40 phytocompounds of Catharanthus roseus and the 4PHO protein. Our work has determined the presence of Pamoic acid and Vindolinine hydrochloride as the optimal choice here. Pharmacokinetic screening exhibited drug-like properties to both the highly absorbed compounds in the gastrointestinal tract and Lipinski’s Rule of Five. Molecular docking screening exhibited strong binding of the compounds with 4PHO; pamoic acid exhibited binding energy of –8.7 kcal/mol and vindolinine hydrochloride exhibited –7.8 kcal/mol. VAL62, PHE222, and LEU225 were the most significant residues participating in interaction. Structural validation of 4PHO protein, for instance, through Ramachandran plot analysis confirmed its viability for docking studies. These observations form a platform for the synthesis of plant-derived antiviral drugs against BLV and offer a platform for future in vitro and in vivo studies to assess their therapeutic viability.

Keywords: Molecular docking, Catharanthus roseus, bovine leukemia virus (BLV), cancer, 4PHO protein, drug discovery

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Citation:

How to cite this article: Cristin C. Biju, Molecular Docking of Catharanthus Roseus Bioactive Compounds of Targetinging Bovine Leukaemia Virus. International Journal of Animal Biotechnology and Applications. 2025; 11(2): -p.

How to cite this URL: Cristin C. Biju, Molecular Docking of Catharanthus Roseus Bioactive Compounds of Targetinging Bovine Leukaemia Virus. International Journal of Animal Biotechnology and Applications. 2025; 11(2): -p. Available from:https://journalspub.com/publication/ijaba/article=21187

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