Sintesis, Karakterisasi dan Penambatan Molekul Bis-2-Chloro-N- (Methylcarbamothioyl)-Benzamide-Iron (III) Sebagai Kandidat Anti Kanker

Abstract

In drug discovery research and development, modification of an organic compound with metal can increase pharmacological activity. Objective: To synthesize, characterize the Bis-2-Chloro-N- (Methylcarbamothioyl)-Benzamide-Iron (III) complex compound and its interaction with the Ribonucleotide Reductase target receptor. Objective: To synthesize, characterize the Bis-2-Chloro-N- (Methylcarbamothioyl)-Benzamide-Iron (III) complex compound and its interaction with the Ribonucleotide Reductase target receptor. Methods: Synthesis by reflux method with heating, characterization with HSM, UV-vis, FT-IR and MS. Docking was carried out to test the interaction at the ribonucleotide reductase receptor. Results: The weight of the synthetic compound produced was 291.5 mg. Bis-(2-Chloro-N-(Methylcarbamothioyl)-Benzamide)-Iron(III) complex compounds can interact with Ribonucleotide Reductase receptors and are predicted to have better activity than 2-Chloro-N- (Methylcarbamothioyl)-Benzamide compounds with a value of Gibbs free energy (ΔG)/binding affinity - 6.67 kcal/mol and the value of the inhibition constant is 12.85 μM. Conclusion: Bis-2-Chloro-N- (Methylcarbamothioyl)-Benzamide-Iron (III) complex is predicted to be used as an anticancer candidate.