Predictive proteochemometric models for kinases derived from 3D protein field-based descriptors-Reference-Cited by-同舟云学术

Predictive proteochemometric models for kinases derived from 3D protein field-based descriptors

Published:2016 Issue:5 Volume:7 Page:1007-1015
ISSN:2040-2503
Container-title:MedChemComm
language:en
Short-container-title:Med. Chem. Commun.

Author:

Subramanian Vigneshwari¹²³⁴⁵,Prusis Peteris¹²³⁴,Xhaard Henri⁵⁶⁷⁸⁴,Wohlfahrt Gerd¹²³⁴

Affiliation:

1. Computer-Aided Drug Design

2. Orion Pharma

3. FI-02101 Espoo

4. Finland

5. Division of Pharmaceutical Chemistry and Technology

6. Faculty of Pharmacy

7. University of Helsinki

8. FI-00014 Helsinki

Abstract

Proteochemometric models of kinases derived from protein fields and ligand 4-point pharmacophoric fingerprints are predictive and visually interpretable.

Publisher

Royal Society of Chemistry (RSC)

Subject

Pharmaceutical Science,Biochemistry,Drug Discovery,Molecular Medicine,Pharmacology,Organic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/MD/C5MD00556F

Reference30 articles.

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4. PLS modeling of chimeric MS04/MSH-peptide and MC1/MC3-receptor interactions reveals a novel method for the analysis of ligand–receptor interactions

5. J. E. S. Wikberg , M.Lapinsh and P.Prusis, Chemogenomics in Drug Discovery: A Medicinal Chemistry Perspective, Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, FRG, 2004, pp. 289–309

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