Computer-assisted 1 H NMR analysis of the anti-tuberculosis drug lead ecumicin

Computer-assisted ¹ H NMR analysis of the anti-tuberculosis drug lead ecumicin

Magn Reson Chem. 2017 Mar;55(3):239-244. doi: 10.1002/mrc.4425. Epub 2016 Apr 19.

Wei Gao^{1

2}, José G Napolitano¹, David C Lankin¹, Jin-Yong Kim^{3

4}, Ying-Yu Jin³, Hanki Lee^{3

4}, Joo-Won Suh^{3

4}, Shao-Nong Chen^{1

2}, Guido F Pauli^{1

2}

¹ Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, Chicago, IL, 60612, USA.
² Institute for Tuberculosis Research, College of Pharmacy, University of Illinois at Chicago, Chicago, IL, 60612, USA.
³ Division of Bioscience and Bioinformatics, College of Natural Science, Myongji University, Cheoin-gu, Yongin, Gyeonggi-Do, 17058, Korea.
⁴ Center for Nutraceutical and Pharmaceutical Materials, Myongji University, Cheoin-gu, Yongin, Gyeonggi-Do, 17058, Korea.

No abstract available

Keywords: 1H iterative Full Spin Analysis (HiFSA); Computational Iteration; Ecumicin; Oligopeptides; Structure elucidation.