DESIGN, SYNTHESIS AND MOLECULAR DOCKING STUDIES OF NOVEL N-SUBSTITUTED-2-(FURAN-3-YL)-1H-BENZIMIDAZOLE DERIVATIVES

K. Srikanth Kumar; S. Ravichandra; A.Lakshmana Rao, M.L.N.T.Amaleswari, M.Udaykiran, M.Sasikala, N.Teja

K. Srikanth Kumar Department of Pharmaceutical Chemistry, V. V. Institute of Pharmaceutical Sciences, Gudlavalleru, Andhra Pradesh
S. Ravichandra Department of Pharmaceutical Chemistry, Hindu College of Pharmacy, Guntur, Andhra Pradesh
A.Lakshmana Rao, M.L.N.T.Amaleswari, M.Udaykiran, M.Sasikala, N.Teja Department of Pharmaceutical Chemistry, V. V. Institute of Pharmaceutical Sciences, Gudlavalleru, Andhra Pradesh

Keywords: Benzimidazole derivatives, synthesis, characterization, molecular docking, β-tubulin.

Abstract

Benzimidazole pharmacophore possess broad class of curative properties like anthelmintic, antiulcer, antihypertensive, anticancer, etc. In view of this reason benzimidazole derivatives synthesis gained vital significance in recent years. In this investigation, a series of novel substituted benzimidazole derivatives having furan appendage at 2^nd position and alkyl/aryl appendage at 1^st position were synthesized by using appropriate procedures. All the compounds synthesized were characterized by physically (R_f values, Melting point, Molecular weight, Molecular formula) and were characterized by spectral data (¹H-NMR, ¹³C-NMR, IR and Mass spectra). All the synthesized compounds were screened for molecular docking studies on human gamma-tubulin protein to find out the binding interaction at the target active site. Molecular docking studies at human gamma-tubulin protein states that the compound 4b showed good binding affinity (-8.98 kcal/mol) in comparison to the reference compound Albendazole (-8.47 kcal/mol).

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