3-[5-(1H-Indol-3-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl]-propionic Acid as a Potential Polypharmacological Agent

Searching for new types of biological activities among preliminarily identified hit compounds is a key challenge in modern medicinal chemistry. In our study, previously studied 3-[5-(1H-indol-3-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl]-propionic acid (Les-6614) was screened antimicrobial, antifungal, anti-allergic, and antitumor activities. Moreover, cytotoxicity, molecular docking, SwissAdme online target screening were accomplished. It determined that the Les-6614 has slight antimicrobial activity. However, compound decreased IgE levels sensitized guinea pigs by 33–86% reduced IgA, IgM, IL-2, TNF-α, indicating anti-inflammatory anti-allergic aactivities. According to SwissADME web tool, predictions potentially have an affinity lysosomal protective protein, Thromboxane-A synthase, PPARγ. The docking confirmed 2-thioxo-4-thiazolidinone derivative showed good bonding with LLP TXAS, leading stable protein–ligand complexes. Additionally, potential PPARγ modulator, which important pathogenesis allergy, cancer, cardiovascular diseases.