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Magar Vidya*, Khavane Karna, Sanjay Wagh


Objective: The objective of this research was to docking, synthesis and analysis of new benzimidazole derivatives. Methods: The methods used were divided as Docking study, Preparation of structural library, Synthetic work and Spectral analysis of benzimidazole derivatives. On the basis of active site of Candida albicans, Structural Library of new series of benzimidazole were prepared and docked on Cytochrome p450 (CYP51) and five compounds were selected for synthesis showing highest docking score and Analyzed with NMR, IR, Mass Spectroscopy. Designed compound interact with Cytochrome p450 through hydrophobic and van der walls interactions. Results: Synthesized different substituted aryl Piperazines, 1-alkyl-2-[4-(alkyl/aryl) piperazin- 1-yl] ethyl benzimidazole nucleus and condensed them to offer targeted compounds. The final compounds and intermediate were purified and their structures were established by Infra-red, mass spectroscopy. All important intermediate and final compounds were monitored by TLC, gas chromatography and the structure confirmed by mass spectroscopy with molecular ion peak and NMR spectra which are given in spectral analysis. Conclusion: A new class of 5-Chloro-1-isopropyl-2-[1-(4- alkyl/aryl piperazin-1-yl)-ethyl]-1H benzimidazole derivatives were synthesized and Analyzed. This investigation opens new area of antifungal agents, which are cheaper and simple and very selective than the existing azoles antifungal agents.

Keywords: Docking, Benzimidazole, Synthesis, NMR, IR, Mass Spectroscopy.

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