Jeankumar, Variam Ullas; Reshma, Rudraraju Srilakshmi; Vats, Rahul; Janupally, Renuka; Saxena, Shalini; Yogeeswari, Perumal; Sriram, Dharmarajan published the article 《Engineering another class of anti-tubercular lead: Hit to lead optimization of an intriguing class of gyrase ATPase inhibitors》. Keywords: gyrase ATPase inhibitor tuberculosis screening structure; DNA gyrase; Differential scanning fluorimetry; Medium throughput virtual screening; Mycobacterium tuberculosis.They researched the compound: 7-Chloro-4-(piperazin-1-yl)quinoline( cas:837-52-5 ).Safety of 7-Chloro-4-(piperazin-1-yl)quinoline. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:837-52-5) here.
A structure based medium throughput virtual screening campaign of BITS-Pilani in house chem. library to identify novel binders of Mycobacterium tuberculosis gyrase ATPase domain led to the discovery of a quinoline scaffold. Further medicinal chem. explorations on the right hand core of the early hit, engendered a potent lead demonstrating superior efficacy both in the enzyme and whole cell screening assay. The binding affinity shown at the enzyme level was further corroborated by biophys. characterization techniques. Early pharmacokinetic evaluation of the optimized analog was encouraging and provides interesting potential for further optimization.
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