TY  - JOUR
T1  - Polypharmacological Profiling of 3-[5-(1H-Indol-3-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl]-propionic Acid (Les-6614): Antimicrobial, Anti-Inflammatory, and Receptor-Binding Insights
A1  - Sanjay Kulkarni
A1  - Meenal Joshi
A1  - Rohan Patil
A1  - Aniket Deshmukh
JF  - Pharmaceutical Sciences and Drug Design
JO  - Pharm Sci Drug Des
SN  - 3062-4428
Y1  - 2025
VL  - 5
IS  - 2
DO  - 10.51847/Kf6duOlvTY
SP  - 261
EP  - 275
N2  - Identifying new biological activities in already-discovered hit compounds is a fundamental challenge in modern medicinal chemistry. Our investigation examined the previously studied 3-[5-(1H-indol-3-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl]-propionic acid (Les-6614) for antimicrobial, antifungal, anti-allergic, and antitumor activities. Cytotoxicity profiling, molecular docking, and SwissADME online target prediction were also carried out. The findings revealed that Les-6614 possesses modest antimicrobial and antitumor capabilities. By contrast, the test compound produced a 33–86% reduction in IgE levels in sensitized guinea pigs and suppressed IgA, IgM, IL-2, and TNF-α, suggesting anti-inflammatory and anti-allergic potential. Target projections for Les-6614, generated by the SwissADME web tool, indicate possible affinities for lysosomal protective protein, Thromboxane-A synthase, and PPARγ. Docking simulations corroborated that the studied 2-thioxo-4-thiazolidinone derivative binds favorably to both LLP and TXAS, yielding stable protein–ligand assemblies. Beyond this, Les-6614 emerges as a candidate PPARγ modulator, a role relevant to the pathogenesis of allergic conditions, malignancies, and cardiovascular disorders.
UR  - https://galaxypub.co/article/polypharmacological-profiling-of-3-5-1h-indol-3-ylmethylene-4-oxo-2-thioxothiazolidin-3-yl-propi-igkn42emjz2zorm
ER  -