Article Abstract

	Title:	Modifications of ampicillin structure and its implication: an in-silico approach
	Author:	Raju Poddar, Aprajita Mathur, Omkar Uday Kawalekar, Amit Rai, Amogh Bhatnagar
	Address:	Department of Biotechnology, Birla Institute of Technology, Mesra, Ranchi 835 215, India. ' Department of Biotechnology, Birla Institute of Technology, Mesra, Ranchi 835 215, India. ' Department of Biotechnology, Birla Institute of Technology, Mesra, Ranchi 835 215, India. ' Department of Biotechnology, Birla Institute of Technology, Mesra, Ranchi 835 215, India. ' Department of Biotechnology, Birla Institute of Technology, Mesra, Ranchi 835 215, India
	Journal:	International Journal of Bioinformatics Research and Applications 2009 - Vol. 5, No.6  pp. 616 - 624
	Abstract:	Structural modifications of the existing ampicillin are much needed for saving patients from ampicillin-resistant microorganisms. A number of new molecules were generated by side chain modification of the existing ampicillin structure. Armed with molecular docking softwares like FlexiDOC, GLIDE, and AutoDOCK, a docking study was performed. Interaction between new molecules and target protein (1W2N) was also executed. Finally, we arranged new molecules according to docking scores, which directly reflects the binding affinity to the receptor protein.
	Keywords:	ampicillin structure; penicillin; beta-lactamase; penicillium notatum; homology modelling; ampicillin resistance; resistant microorganisms; bioinformatics; molecular docking; binding affinity; receptor proteins.
	DOI:	10.1504/IJBRA.2009.029042
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