Prasoon Thakur1, Jitendra Kumar2, Divya Ray3, Md. Imtaiyaz Hassan4
1Department of computer science, Jamia Millia Islamia, New Delhi, India.
2Beant College of Engineering &Technology, Gurdaspur, Punjab 143521, India.
3Department of biotechnology, Post graduate government college, Chandigarh, Punjab, India.
4Centre for Interdisciplinary Research in Basic Sciences, Jamia Millia Islamia, Jamia Nagar, New Delhi 110025, India.
New Delhi metallo-β-lactamase-1 (NDM-1) producing Gram-negative bacteria are a major worldwide health concern. The enzyme NDM-1 confers bacterial resistance by hydrolyzing the β-lactam ring present in β-lactam antibiotics, a broad range of antibiotics for treating infections caused by Gram-negative pathogens, which comprises an important part of immune system. Inhibition of NDM-1 prevents the hydrolysis of β-lactam ring of the antibiotics and hence, plays an important role in solving the problem associated with bacterial resistance. Therefore, an attempt was made to obtain the suitable inhibitors of NDM-1 from twenty different natural antibacterial compounds which were further validated by docking analysis of other fourteen β-lactam antibiotics with NDM-1 protein. The screening of these results revealed that Nimbolide and Gedunin has the higher binding affinity then and also qualify the various parameter of drug likeness among the twenty selected natural compounds as well as β-lactam antibiotics. So we can conclude that the Nimbolide and Gedunin for NDM-1 would act as a potential drug candidate against bacterial resistance. Read more…