Insilico Docking Analysis of Antimalarial and Anticancer Potentials of a Hydrazone Derivative of 2-Amino-4-Thiazoleacetic Acid Hydrazide

Abstract

2-amino-4-thiazoleacetic acid hydrazide (ATAH) was prepared from the reaction of ethyl-2-amino-4-thiazoleacetate with hydrazine hydrate. The hydrazone derivative, 2-(2-amino-1,3-thiazol-4-yl)-N'-[(E)-(4-methoxyphenyl)methylidene]acetohydrazide (ATAPH) was synthesized by the condensation reaction of 2-amino-4-thiazoleacetic acid hydrazide (ATAH) with 4-methoxybenzaldehyde. The synthesized compounds were characterized using spectro-analytical methods. The Insilico docking studies of the synthesized compound were performed against some antimalarial targets; P.falciparum lactate dehydrogenase (PfLDH) (PDB ID: 1U5A), P.falciparum dihydrorotate dehydrogenase (PfDHODH)(PDB ID: 3UM8), P.falciparum dihydrofolate reductase (PfDHFR)(PDB ID: 6155)and some anticancer targets; Epidermal Growth Factor Receptor (EGFR) (PDB ID: 3POZ), Selective Androgen Receptor Modulator (SARM) (PDB ID: 3V49), and Abl-Tyrosine kinase (Abl) (PDB ID: 1IEP). The insilico docking studies revealed that the antimalarial activity was higher than the anticancer activity. ATAPH exhibited better binding affinity compared to ATAH indicating its potential as a promising antimalarial and anticancer agents. The physicochemical properties revealed the drug-likeness ability of the compounds.