In the present study we have designed a new pharmacophore ‘Chalconesemicarbazone’ by pharmacophore hybridization approach of drug design. The possible metabolites of some selected synthesized chalconesemicarbazones were predicted by computational method using Pallas version-3.1 ADME-Tox prediction (metabolism prediction by Mexalert/RetroMex) software. A series of chalconesemicarbazones was synthesized and evaluated for their antifungal activity by paper disk diffusion method. Based on the results of an antifungal study, 1-[1-(2-hydroxyphenyl)-3-(4-methoxyphenyl) allylidene]-4-(4-methylphenyl) semicarbazide (compound 16) was the most active compound. The highest activity observed in compound 16 is probably due to the presence of methoxy group in aldehydic moiety of the chalcone. Unsubstituted compounds or lengthening of carbon chain or chloro substitution showed very less activity.
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