Vincamine as a Potential Therapeutic Agent for Sickle Cell Disease: Insights from Computational Studies and Future Directions

Author : Nerswn Basumatary

Abstract :Sickle cell disease (SCD) remains a major global health burden, with limited therapeutic options to address its complex molecular pathology. In our recent computational study, we identified vincamine, a natural indole alkaloid, as a promising candidate with potential anti-sickling properties. Using a comprehensive in silico pipeline that included molecular docking, molecular dynamics simulations, and pharmacokinetic profiling, vincamine demonstrated favourable binding affinity toward haemoglobin S and exhibited stable interactions that could reduce sickling-related polymerization. ADMET predictions further supported its drug-likeness and safety profile, suggesting its potential suitability as a therapeutic lead. Building on these findings, the present work emphasizes the translational significance of vincamine. We outline proposed directions for experimental validation, including in vitro anti-sickling assays, reversibility testing, and comparative studies with known anti sickling agents such as hydroxyurea. Additionally, future computational approaches integrating multi-target screening and systems biology could further elucidate vincamine’s role in modulating SCD pathophysiology. This presentation aims to bridge computational discovery with experimental perspectives, highlighting vincamine’s potential as a therapeutic agent for SCD and underscoring the importance of integrating bioinformatics-driven drug discovery with laboratory validation. Our findings support the continued exploration of vincamine in the drug development pipeline for haemoglobinopathies.

Keywords :Sickle cell disease, Vincamine, Computational drug discovery, Molecular docking, Molecular dynamics, Therapeutic development.

Conference Name :International Conference on Pharmaceutical Chemistry (ICPC-25)

Conference Place Bangalore, India

Conference Date 1st Nov 2025