Discovery of conjugated thiazolidinone-thiadiazole scaffold as anti-dengue virus polymerase inhibitors

Computational predictions suggest that structural similarity in viral polymerases may lead to comparable allosteric binding sites

“…Manvar and coworkers used in vitro screens and SAR analysis to identify a small molecule scaffold that had inhibitory activity against serotype 2 of the DENV polymerase (Manvar, Küçükgüzel et al 2015). Fluorescence experiments confirmed that three of the ligands with this scaffold interacted with the polymerase, while docking studies suggest that the ligand with the most favorable affinity binds to a site in the thumb domain (Manvar, Küçükgüzel et al 2015). Six of the ten residues identified to interact with this ligand are found within site 1 identified by LISE in our current work (see figure 5).…”

Thiazolidinones: Synthesis, Reactivity, and Their Biological Applications

“…SAR studies pointed toward favorable contribution from electron‐withdrawing groups (─F and ─Cl). Homology modeling and docking studies were performed using Thumb pocket‐II (active site) of DENV‐2 NS5 polymerase . …”

Synthesis and Antiproliferative Activity of Thiadiazole Peptidomimetic Derivatives

“…[2～4] 、抗炎 [5] 、抗病毒 [6] 、抗 疟疾 [7] 、抗结核病 [8,9] 、抗焦虑、抗抑郁 [10] 、镇静、抗惊 厥 [11] 等生物活性; 在农药方面噻二唑衍生物还具有调 节植物生长 [12] 、抗植物黄萎病 [13] …”