PHARMACOPHORE MODELLING, MOLECULAR DOCKING AND VIRTUAL SCREENING FOR EGFR (HER 1) TYROSINE KINASE INHIBITORS

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Amit K Gupta
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Pharmacophore modelling, for EGFR tyrosine kinase inhibitors
PHARMACOPHORE MODELLING, MOLECULAR DOCKING AND VIRTUAL SCREENING FOR EGFR (HER 1) TYROSINE KINASE INHIBITORS

A pharmacophore model has been developed using diverse classes of epidermal growth factor receptor (EGFR) inhibitors to design and discover novel EGFR tyrosine kinase inhibitors.

The article was published by
El artículo fue publicado por

SAR and QSAR in Environmental Research
Volume / Volumen: 22
Number / Número: 3-4
First and last pages / Páginas inicial-final: 239-263
Year / Año: 2011
Month / Mes: june

This journal, which is covered by SIIC Data Bases,
is part of the bibliographic collections of the Biblioteca Biomédica (BB) SIIC.
Esta revista, clasificada por SIIC Data Bases,
integra el acervo bibliográfico de la Biblioteca Biomédica (BB) SIIC.

Principal institution where the research took place
Institución principal de la investigación
Central Drug Research Institute, Lucknow, Uttar Pradesh

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Crónica del Autor
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Bibliographic references
Referencias bibliográficas

Ferguson KM, Berger MB, Mendrola JM, Cho HS, Leahy DJ, Lemmon EA. EGF activates its receptor by removing interactions that autoinhibit ectodomain dimerization. Mol Cell 11:507-517, 2003.
Gundla R, Kazemi R, Sanam R, Muttineni R, Sarma AJ, Dayam R, Neamati N. Discovery of novel small-molecule inhibitors of human epidermal growth factor receptor-2: Combined ligand and target-based approach. J Med Chem 51:3367-3377, 2008.
Guy CT, Cardiff RD, Muller WJ. Activated neu induces rapid tumor progression. J Biol Chem 271:7673-7678, 1996.
Jordan JD, Landau EM, Iyengar R. Signaling networks: The origins of cellular Multitasking. Cell 103:193-200, 2000.
Kim SG, Yoon CJ, Kim SH, Cho YJ, Kang DI. Building a common feature hypothesis for thymidylate synthase inhibition. Bioorg Med Chem 8:11-17, 2000.
Li H, Sutter J, Hoffmann R. HypoGen: An Automated System for Generating 3D Predictive Pharmacophore Models. In Pharmacophore Perception, Development and Use in Drug Design, International University Line, La Jolla, CA; 2000.
Lin R, Johnson SG, Connolly PJ, Wetter SK, Binnun E, Hughes TV, Murray WV, Pandey NV, Moreno-Mazza SJ, Adams M, Fuentes-Pesquera AR. Synthesis and evaluation of 2,7-diamino-thiazolo[4,5-d] pyrimidine analogues as anti-tumor epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors. Bioorg Med Chem Lett 19:2333-2337, 2009.
Motta CL, Sartini S, Tuccinardi T, Nerini E, Da Settimo F, Martinelli A. Computational studies of epidermal growth factor receptor: Docking reliability, three-dimensional quantitative structure-activity relationship analysis, and virtual screening studies. J Med Chem52:964-975, 2009.
Olayioye MA, Beuvink I, Horsch K, Daly JM, Hynes NE. ErbB receptor-induced activation of stat transcription factors is mediated by Src tyrosine kinases. J Biol Chem 274:17209-17218, 1999.
Olayioye MA, Neve RM, Lane HA, Hynes NE. The ErbB signaling network: Receptor heterodimerization in development and cancer. EMBO J 19:3159-3167, 2000.
Pannala M, Kher S, Wilson N, Gaudette J, Sircar I, Zhang S, et al. Synthesis and structure-activity relationship of 4-(2-aryl-cyclopropylamino)-quinoline-3-carbonitriles as EGFR tyrosine kinase inhibitors. Bioorg Med Chem Lett 17:5978-5982, 2007.

Other articles written by the author Amit K Gupta
Otros artículos de Amit K Gupta

 Pharmacophore Modeling of Substituted 1,2,4-Trioxanes for Quantitative Prediction of their Antimalarial Activity, Amit K. Gupta, S. Chakroborty, Kumkum Srivastava, Sunil K. Puri, and Anil K. Saxena, J. Chem. Inf. Model. 2010, 50, 1510–1520.  Integrated ligand and structure based studies of ﬂavonoids as fatty acid biosynthesis inhibitors of Plasmodium falciparum, Amit K. Gupta, Shruti Saxena, Mridula Saxena, Bioorg. Med. Chem. Lett. 2010, 20, 4779–4781.  Toward the Identiﬁcation of a Reliable 3D QSAR Pharmacophore Model for the CCK2 Receptor Antagonism, Amit K. Gupta, Kanika Varshney, and Anil K. Saxena, J. Chem. Inf. Model. 2012, 52, 1376–1390.  Identification of Novel S-Adenosyl-L-Homocysteine Hydrolase Inhibitors through Homology-Model-Based Virtual Screening, Synthesis, and Biological Evaluation, Prashant Khare, Amit K. Gupta, Praveen K. Gajula, Krishna Y. Sunkari, Anil K. Jaiswal, Sanchita Das, Preeti Bajpai,Tushar K. Chakraborty, Anuradha Dube, and Anil K. Saxena, Chem. Inf. Model. 2012, 52, 777-791.

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The authors' report was accepted on La crónica del autor fue aprobada el 2021, march 9	Published in siicsalud Publicado en siicsalud 2021, june 7

The article is strictly related to the following sections of siicsalud
El artículo se relaciona estrictamente con las siguientes secciones de siicsalud

Biochemistry
/ Bioquímica

Pharmacology
/ Farmacología

and secondarily related to the following sections
y secundariamente con las siguientes secciones

Molecular Biology
Biología Molecular

Genetic Biochemistry
Bioquímica Genética

Basic Pharmacology
Farmacología Básica

Pharmaceutical Medicine
Medicina Farmacéutica

Chemotherapy
Quimioterapia

Clinical Oncology
Oncología Clínica

Oncology
Oncología

Information about the full text
Acerca del trabajo completo

Pharmacophore Modelling, Molecular Docking and Virtual Screening for EGFR (HER 1) Tyrosine Kinase Inhibitors

Author / Autor
SS Bhunia¹, VW Balaramnavar², AK Saxena³

3 Mr., Medicinal And Process Chemistry Division, Central Drug Research Institute, Csir, Lucknow, India, Lucknow, India, Senior Research Fellow

Article URL: / URL del artículo:
http://www.tandf.co.uk/journals/titles/1062936x.html
URL of Abstract page in Medline: / URL del abstract en Medline:
http://www.ncbi.nlm.nih.gov/pubmed/21400356
siic DB: / siic DB:
http://www.siicsalud.com/main/distriprinrel.php

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