Virtual High Throughput Screening of Carbapenem Derivatives as New Generation Carbapenemase and Penicillin Binding Protein Inhibitors: A Hunt to Save Drug of Last Resort

Title:Virtual High Throughput Screening of Carbapenem Derivatives as New Generation Carbapenemase and Penicillin Binding Protein Inhibitors: A Hunt to Save Drug of Last Resort

Volume: 18 Issue: 1

Author(s): Abhishek Chowdhury, Paulomi Paul, Amitabha Bhattacharjee, Anupam Das Talukdar and Manabendra Dutta Choudhury

Affiliation:

Keywords: Beta lactamase, carbapenem resistance, computer aided drug design, molecular docking, penicillin binding proteins, thienamycin.

Abstract: The advent of carbapenem resistance by the production of β-lectamases and mutated penicillin binding proteins (PBPs) has challenged the treatment of Enterobacteriaceae. Hence there is an urgent need to establish drugs that can fit in the pipeline by overcoming those situations.

The working hypothesis of the work is based on two facts, i.e., i) design of inhibitors against mutated PBPs to which present drugs cannot bind efficiently to kill pathogen by inhibiting cell wall formation, ii) design of molecules that can bind with β-lectamases with high affinity, so that they can supplement available drugs preventing their unwanted hydrolysis.

Cite this article as:

Chowdhury Abhishek, Paul Paulomi, Bhattacharjee Amitabha, Das Talukdar Anupam and Dutta Choudhury Manabendra, Virtual High Throughput Screening of Carbapenem Derivatives as New Generation Carbapenemase and Penicillin Binding Protein Inhibitors: A Hunt to Save Drug of Last Resort, Combinatorial Chemistry & High Throughput Screening 2015; 18 (1) . https://dx.doi.org/10.2174/1386207317666141226131709