In silico drug repurposing for potential HPV-induced skin wart treatment - A comparative transcriptome analysis

Area of Science:

• Dermatology and Computational Biology
• Drug Discovery and Repurposing

Background:

• Warts, caused by human papillomavirus (HPV), are common skin infections with limited effective treatments.
• Current therapies like topical salicylates have low efficacy and potential side effects, necessitating novel therapeutic strategies.

Purpose of the Study:

• To identify potential drug candidates for skin wart treatment using comparative transcriptome analysis and drug repurposing.
• To explore novel therapeutic targets and existing drugs for managing human papillomavirus (HPV)-induced warts.

Main Methods:

• Comparative transcriptome analysis of gene expression datasets from warts and cervical cancer.
• Identification of druggable differentially expressed genes (DEGs) and target proteins using bioinformatics tools.
• Molecular docking, simulations, and physicochemical analyses to evaluate drug-target interactions and drug properties.

Main Results:

• Integrin Alpha-X (ITGAX) was identified as a significantly upregulated protein in skin warts.
• Dihydroergotamine demonstrated effective inhibition of the ITGAX protein through molecular docking and simulations.
• Physicochemical analysis confirmed the suitability of dihydroergotamine as a potential therapeutic agent.

Conclusions:

• Dihydroergotamine is a promising candidate for repurposing as a treatment for skin warts.
• Targeting Integrin Alpha-X (ITGAX) with dihydroergotamine offers a novel therapeutic strategy for HPV-related skin conditions.