authors

• Sutar, Dharmanath
• Dubey, Amit
• Bagul, Abhay
• Manish Kumar, MD
• Tufail, Aisha
• Muteeb, Ghazala
• Sangshetti, Jaiprakash N
• Rathod, Dinesh
• Mandawad, Gajanan
• Aatif, Mohammad

publication date

• April 20, 2026

published in

• Bioorganic chemistry  Journal

has subject area

• Antimalarials
• Dose-Response Relationship, Drug
• Drug Design
• Humans
• Ketones
• Molecular Docking Simulation
• Molecular Structure
• Parasitic Sensitivity Tests
• Plasmodium falciparum
• Structure-Activity Relationship
• Thiazoles

Keywords

• MM-GBSA binding free energy
• Thiazole-derived α,β-unsaturated ketones;plasmodium falciparum lactate dehydrogenase (PfLDH);antimalarial activity;isothermal titration calorimetry (ITC);molecular docking and dynamics

Digital Object Identifier (DOI)

• https://doi.org/10.1016/j.bioorg.2026.109876

PubMed ID

• 42030649

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