Ligand-based design of GLUT inhibitors as potential antitumor agents

Autor:	Suliman Almahmoud, Jing Wang, Jonathan L. Vennerstrom, Haizhen A. Zhong, Xiaofang Wang, Wei Jin, Liying Geng
Rok vydání:	2019
Předmět:	endocrine system Glucose uptake Clinical Biochemistry Pharmaceutical Science Antineoplastic Agents Ligands 01 natural sciences Biochemistry Structure-Activity Relationship Drug Discovery Humans Viability assay Molecular Biology Cell Proliferation Glucose Transporter Type 1 biology 010405 organic chemistry Chemistry Organic Chemistry Glucose transporter HCT116 Cells 0104 chemical sciences carbohydrates (lipids) Molecular Docking Simulation 010404 medicinal & biomolecular chemistry Docking (molecular) Drug Design biology.protein Molecular Medicine GLUT1 Pharmacophore Databases Chemical Protein Binding
Zdroj:	Bioorganicmedicinal chemistry. 28(7)
ISSN:	1464-3391
Popis:	Glucose transporters (GLUTs) regulate glucose uptake and are often overexpressed in several human tumors. To identify new chemotypes targeting GLUT1, we built a pharmacophore model and searched against a NCI compound database. Sixteen hit molecules with good docking scores were screened for GLUT1 inhibition and antiproliferative activities. From these, we identified that compounds 2, 5, 6 and 13 inhibited the cell viability in a dose-dependent manner and that the IC50s of 2 and 6 are
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d6d0585e6617a90bde3d6d69852f3662 https://pubmed.ncbi.nlm.nih.gov/32113844 Zobrazit plný text záznamu Full Text from ScienceDirect