Title:Microwave-assisted Synthesis, Molecular Docking Study of Spirofused
Heterocycles as Anti-microbial and Anthelmintic Potential
Volume: 20
Issue: 12
Author(s): Rina Das, Dinesh Kumar Mehta*, Sumeet Gupta, Somdutt Mujwar, Vishal Sharma, Anju Goyal, Samir Patel and Archita Patel
Affiliation:
- Department of Pharmaceutical Chemistry, M.M College of Pharmacy, Maharishi Markandeshwar (Deemed to be University), Mullana, Ambala, Haryana, 133203, India
Keywords:
Antimicrobial, anthelmintic, biginelli, iodine-catalyst, microwave, spiroketal.
Abstract:
Introduction: The stereochemical characteristics of spirofused and their derivatives have
recently attracted a great deal of interest in synthetic organic chemistry.
Methods: A series of ecologically acceptable spirofused heterocycle compounds S(K1–K8) were
made using a one- pot microwave irradiation and were characterized by FTIR, 1HNMR, and Mass
Spectroscopy. The Iodine-catalyzed Biginelli-type condensation process has been used to synthesize
novel anti-microbial and anthelmintic potential spiroketals (spirofused) derivatives by using a fast,
safe & effective microwave irradiation approach in order to get the product in maximum yield with
lesser time consumption.
Results: The compounds SK4 and SK5 showed promising antimicrobial activity against all bacterial
(Bacillus subtilis, Staphylococcus aureus, Pseudomonas aeruginosa, Escherichia coli) and fungal
strains (Candida albicans and Aspergillus niger) with MIC 6.25 μg/mL and 12.5 μg/mL. Furthermore,
molecular docking studies were also simulated for compounds SK4 and SK5 to predict the specific
binding mode of these compounds.
Conclusion: Albendazole (Alb) was used as a reference medicine to test the anthelmintic activity of
Indian adult earthworms Eisenia fetida. Compound SK4 has been found to be an effective
pharmacophore.
