Bandi Deepa Reddy and Ch. M. Kumari Chitturi*
Department of Applied Microbiology, Sri Padmavati Mahila Visvavidyalayam
(Women’s University), Tirupati, Andhra Pradesh, India.
Legumain an asparginyl endopeptidase expressed by both tumor cells and cells present in tumor microenvironment is an ideal therapeutic target for development of cancer therapies due to its correlation with high metastasis and invasion in various cancers. Microbial derivatives have demonstrated many pharmacological properties such as antioxidant, anti-inflammatory, anti tumor and immunostimulatory activities.In the current study, 541 microbial derivatives were screened for their potential to inhibit legumain using Lib dock .Out of 541 compounds screened we have identified 55 microbial derivatives which showed binding to legumain by docking. Molecular interaction analysis of top five docked derivatives revealed the interaction of derivatives with the catalytic residues of legumain. These compounds need to be further evaluated in vitro and in vivo for Legumain inhibition and ultimately cancer regression.
Keywords: In silico, Legumain, Lib dock, Microbial derivatives.