Repurposing FDA approved drugs for psoriasis indications through integrated molecular docking, one-SVM algorithm, and...

Area of Science:

• Dermatology
• Pharmacology
• Computational Biology

Background:

• Psoriasis etiology remains unclear, lacking permanent remission treatments.
• Current biologics are costly and carry risks, including serious infections and contraindications for tuberculosis and cardiovascular disorders.

Purpose of the Study:

• To identify FDA-approved drugs as potential novel treatments for psoriasis through drug repurposing.
• To explore alternative therapeutic strategies for psoriasis management.

Main Methods:

• Drug-target interactions were compiled from public databases for autoimmune, cardiovascular, infectious, lung, and mood disorders.
• Molecular docking, Gene Ontology (GO) mappings, NBI score, and one-Support Vector Machine (SVM) algorithm were employed for drug prioritization and validation.
• Molecular dynamics simulations were performed on top drug-target candidates.

Main Results:

• Pioglitazone, Trimipramine, and Dimetindene were identified as the top three drug candidates for repurposing against psoriasis.
• The study analyzed drug-target interactions and validated potential candidates using computational approaches.

Conclusions:

• Pioglitazone, Trimipramine, and Dimetindene show promise as new therapeutic options for psoriasis.
• Drug repurposing is a viable strategy to discover cost-effective and potentially safer psoriasis treatments.