Insilico and Biological Evaluation of Anti-Inflammatory Activity of synthesized Benzimidazoles Derivatives

Khemchand R. Surana^1* , Pallavi S. Jadhav¹ , Harshada S. Shewale¹ , Dipa B. Wagh¹ , Sunil K. Mahajan¹ ,  Jayesh V. Musale² , Jubershaha S. Fakir³  and Yogesh P. Sharma⁴

¹Department of Pharmaceutical Chemistry, Shreeshakti Shaikshanik Sanstha, Divine College of Pharmacy, Satana, Nashik, Affiliated to Savitribai Phule Pune University, Pune, Maharashtra, India

 ²Department of Pharmaceutics, Mahatma Gandhi Vidyamandir’s SPH College of Pharmacy, Malegaon, Nashik, Affiliated to Savitribai Phule Pune University, Pune, Maharashtra, India.

³Department of Pharmacology, Shreeshakti Shaikshanik Sanstha, Divine College of Pharmacy, Satana, Nashik, Affiliated to Savitribai Phule Pune University, Pune, Maharashtra, India

⁴Department of Pharmaceutics, SSS’s Divine College of Pharmacy, Nampur Road, Satana, Nashik, Affiliated to Savitribai Phule Pune University, Pune, Maharashtra, India.

Corresponding Author E-mail:khemchandsurana772@gmail.com

DOI : http://dx.doi.org/10.13005/bbra/3300

ABSTRACT: We have developed a mild, easy, and highly efficient green catalyst for the synthesis of 2-substituted benzimidazole. In this study, Ace-dock and DockThore performed molecular docking of the designed benzimidazole molecules with the selected protein FAAH (PDB ID: 3LJ7). We assessed the drug's likeliness (Lipinski's rule of 5) and potential toxicity using the Protox-II software. We can confidently state that the synthesized molecules adhere to Lipinski's rule of five, given that the design molecules' properties are within acceptable limits. In comparison to the reference Ibuprofen, the proposed compounds exhibited favorable pharmacokinetic properties and achieved docking scores ranging from -10.88 to -27.31 (Acedock) and -6.045 to 9.122 (DockThore). We synthesized the benzimidazole derivatives 3a to 3g. Based on an in silico study, we synthesized the molecules, chose the best ones, and then tested their anti-inflammatory action in a lab setting. We employed the albumin denaturation assay test to determine the extent of heat-induced protein denaturation inhibition. Both of the synthesized compounds and the standard drug, diclofenac sodium, inhibit denaturation of proteins at concentrations between 10 and 50 ppm. At a dose of 10 ppm, compound 3f showed the highest level of inhibition, at 70%. Diclofenac sodium exhibited the highest suppression, measuring 97.20% at a concentration of 40 ppm. We could further investigate 3F to determine its anti-inflammatory characteristics.

KEYWORDS: AceDock; Anti-inflammatory activity; Benzimidazoles; DockThor; Protox-II software

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