EventsMOL2NET'15, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 1st ed.
Event submissions
Published
with-doi10.3390/MOL2NET-1-b025
This submission belongs to the session 04. NICEXSM-01: North-Ibero-American Congress on Exp. and Simul. Methods, Valencia-Miami, USA, 2015 of the event MOL2NET'15, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 1st ed.
Published date
04 Dec, 2015
Citation
Subhash C. Basak, QSAR for the characterization of drug resistance: Differential QSAR (DiffQSAR) using mathematical chemodescriptors, in Proceedings of MOL2NET'15, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 1st ed., 5 December–15 December 2015, MDPI: Basel, Switzerland, doi: 10.3390/MOL2NET-1-b025
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QSAR for the characterization of drug resistance: Differential QSAR (DiffQSAR) using mathematical chemodescriptors

Subhash C. Basak 1,2
1. School of Statistics University of Minnesota Twin Cities Minneapolis, MN 55414 USA
2. University of Minnesota Duluth –Natural Resources Research Institute and Department of Chemistry and Biochemistry, 5013 Miller Trunk Highway, Duluth, MN 55811, USA
Abstract

Drug resistance is a serious issue that compromises the efficacy of many drugs and antibiotics.  One mechanism underlying the development of resistance is the alternation in the target enzyme or receptor resulting in gradual silencing of the target to the effects of the ligands.  Basak et al developed a method called differential QSAR (DiffQSAR) whereby test data of drugs on their effects on the sensitive and resistant targets are used to characterize the phenomenon of drug resistance using mathematical molecular descriptors.  This paper will summarize our research in this area.

Keywords
Quantitative structure-activity relationship (QSAR)
Differential QSAR (DiffQSAR)
drug resistance
antibiotic
silencing of target
mathematical descriptors
ridge regression (RR).
Manuscript
5-MOL2NET_SB_DiffQSAR_paper.pdf
Poster
Basak DiffQSAR Mol2Net Presentation.pdf
Basak DiffQSAR Mol2Net Presentation.pdf
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