In-silico Molecular Docking, ADME and Drug Likeness Predictions of Some α-alkylidene-β-ethoxycarbonyl Cyclopentanones

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Computer-aided drug design (CADD) conception in the present-day scenario has transfigured the total drug discovery and development program. The pharmacodynamic and pharmacokinetic aspects of a drug candidate play a key role in deciding its fate as a therapeutic agent. The pharmacokinetic fortune of any drug candidate is determined by various properties like its absorption, distribution, metabolism, and elimination (ADME). In this report, an in-silico examination of α-alkylidene-β-ethoxycarbonyl cyclopentanones (1-7) was persuaded based on various physico-chemical parameters to predict their drug-likeness, pharmacokinetic and docking profile utilizing different computational tools.