Crude to leads: a triple-pronged direct NMR approach in coordination with docking simulation†
Abstract
The screening of compounds that bind to the target of interest (specific
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* Corresponding authors
a
Laboratory of Nuclear Magnetic Resonance, Federal University of São Carlos, Postal code 676, Rodovia Washington Luiz, 235, Brazil
E-mail:
prof.drgiba@gmail.com, sheraztanoli@gmail.com
Fax: +55 16 3351-8350
Tel: +55 (16) 3351-8068
b Department of Chemistry, Federal University of São Carlos, Rodovia Washington Luiz, Km 235, Brazil
c Bruker Bio Spin GmbH Silberstreifen, 76287 Rheinstetten, Germany
d Dr Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemicals and Biological Sciences, University of Karachi, Karachi-75210, Pakistan
The screening of compounds that bind to the target of interest (specific
S. A. K. Tanoli, N. U. Tanoli, T. M. Bondancia, S. Usmani, R. Kerssebaum, A. G. Ferreira, J. B. Fernandes and Z. Ul-Haq, Analyst, 2013, 138, 5137 DOI: 10.1039/C3AN00728F
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