In Silico Analysis of the Betuline from the Fiddler Crab, Uca annulipes and its antimicrobial as well as anti lung cancer activities

Abstract

Introduction: In silico analysis of the bioactive compound betuline from the fiddler crab, Uca annulipes and its antimicrobial activities were studied. The fiddler crabs, Uca annulipes were collected from Muttukadu Estuary located on the Kanchipuram District, Tamil Nadu, India, 35 K.M away from Chennai, on the East Coast Road route to Kovalam. Materials and Methods: Fiddler crabs were collected by hand picking method. From the muscle mass of the Crab the bioactive compound was isolated by GC-MS analysis. Molecular docking was performed to identify the protein ligand responsible for the affinity with lung cancer causing tumour cells. Results and Discussion: Hence betuline is the potential lead molecule for the inhibition of lung cancer protein and the most important residues for potential drug target as carbon hydrogen bond, conventional hydrogen bond and Vander Waals interaction. In vitro studies of antimicrobial activities clearly indicated that the different concentrations of betuline bioactive compound have the potential to control the bacteria such as Escherichia coli and Pseudomonas aeruginosa. In vitro studies of anticancer activities also evidently showed the different concentrations of bioactive compound betuline have the potential to control the proliferation of lung cancer cells. Conclusion: Reports are very scanty on this species studied and the reports are very old and hence this present investigation would give latest information on the isolation of bioactive compound for the production of pharmaceutical drugs against the lung cancer. These results will be decisive factor for determining a lead bioactive compound for further drug discovery process for the lung cancer.