02341nas a2200193   4500000000100000008004100001260003700042653003900079653002800118653001600146653002500162100001200187700001500199700002300214700002000237245011100257520176500368022001402133       2025                            d  bRoyal Society of Chemistry (RSC)10aNeglected tropical diseases (NTDs)10aChemotherapeutic agents10aDrug Design10atriazole derivatives1 aMalik J1 aKarande GP1 aSankaranarayanan M1 aKondapalli CSVG00aRecent Advances in Triazole Hybrid Molecules for the Therapeutic Management of Neglected Tropical Diseases3 a<p>The triazole scaffold has garnered considerable attention over the preceding decade as a privileged pharmacophore in the rational design of chemotherapeutic agents targeting neglected tropical diseases (NTDs). This review provides a comprehensive elucidation of the multifaceted research dedicated to the structural optimization of the triazole nucleus and its consequential outcomes on biological efficacy. Emphasis is placed on the methodical interrogation of diverse substituents appended to the triazole core, underscoring the profound influence of seemingly marginal modifications on critical pharmacological parameters. Through a comprehensive deconstruction of structure-activity relationships (SAR), this exposition identifies the essential functional moieties underpinning biological efficacy that potentiate anti-parasitic, anti-fungal, and anti-viral activities across a spectrum of NTD-relevant biological targets. Additionally, molecular insights derived from docking studies are presented to illustrate the underlying reasons behind the observed biological behaviours, expounded upon to furnish a rigorous mechanistic rationale for the observed bioactivity profiles. Such revelations augment the foundational understanding of triazole-based pharmacotherapeutics and furnish a strategic framework for the de novo design of next-generation small-molecule inhibitors. These insights deepen the knowledge of triazole-based hybrid molecules and guide future rational design of novel compounds. By synthesizing and analyzing findings from a wide array of studies, this review aims to serve as a valuable resource for researchers interested in the continued development of triazole derivatives to manage neglected tropical diseases effectively.</p>
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