Author

S. Misra

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Review Sep 2026

The 1,3,4-Thiadiazole Scaffold in Medicinal Chemistry: Structural Insights, Mechanistic Pathways, and Therapeutic Outlook.

Heteroatoms are common structural fragments in many APIs and excipients. Several heterocyclic scaffolds are considered privileged structures. The term Thiadiazole comes from the "Hantzsch-Widman" nomenclature and falls within the category of azole chemicals. These are heterocyclic compounds with 5-membered rings that c...

Ayushi Katiyar, Ajay Kumar, S. Misra et al. · Mini-Reviews in Medical Chem... · 0 citations

Jul 2026

A multistage computational pipeline integrating ligand-based and structure-based screening with ADMET evaluation, molecular dynamic simulation and free energy calculations for the discovery of potential TNIK inhibitors.

This LBVS-SBVS-ADMET-MD pipeline effectively identified three promising TNIK inhibitors, providing a solid foundation for future experimental validation and potential development of targeted therapies for Wnt-driven malignancies.

D. Mishra, Rajnish Kumar, Anurag T. K. Baidya et al. · Talanta: The International J... · 0 citations