Nina Liu

TL;DR: The protocol described in this paper can be included in a drug discovery pipeline in an effort to discover novel drug leads with desired safety profiles, and therefore accelerate the development of new drugs.

TL;DR: The nanocomposite composed of carboxymethyl chitosan (CMCS) and gold nanoparticles was successfully prepared by a novel and in situ process and inherited the properties of the AuNPs and CMCS, which make it biocompatible for enzymes immobilization.

TL;DR: This paper shows how the use of support vector machines (SVMs), trained by associating sets of individual energy terms retrieved from molecular docking with the known binding affinity of each compound from high-throughput screening experiments, can be used to improve the correlation between known binding affinities and those predicted by the docking program eHiTS.

TL;DR: The crystal structure of the ternary complex between InhA, NAD+, and PT70 reveals the molecular details of enzyme-inhibitor recognition and supports the hypothesis that slow onset inhibition is coupled to ordering of an active site loop, which leads to the closure of the substrate-binding pocket.

TL;DR: The 1,4-benzoxazine scaffold is a promising foundation for the development of antitubercular agents against M. tuberculosis H37Rv with MIC values as low as 0.6μg/ml.