A platform for designing HIV integrase inhibitors. Part 1: 2-hydroxy-3-heteroaryl acrylic acid derivatives as novel HIV integrase inhibitor and modeling of hydrophilic and hydrophobic pharmacophores

Autor:	Mitsuaki Yodo, Takashi Kawasuji, Akihiko Sato, Tomokazu Yoshinaga, Tamio Fujiwara, Ryuichi Kiyama
Rok vydání:	2006
Předmět:	Models Molecular Stereochemistry Anti-HIV Agents Clinical Biochemistry Pharmaceutical Science Integrase inhibitor HIV Integrase Biochemistry Chemical synthesis Structure-Activity Relationship Drug Discovery Structure–activity relationship Humans HIV Integrase Inhibitors Molecular Biology chemistry.chemical_classification Binding Sites biology Molecular Structure Organic Chemistry biology.organism_classification Integrase Enzyme chemistry Acrylates Enzyme inhibitor Drug Design Lentivirus biology.protein HIV-1 Molecular Medicine Pharmacophore Hydrophobic and Hydrophilic Interactions
Zdroj:	Bioorganicmedicinal chemistry. 14(24)
ISSN:	0968-0896
Popis:	We present a novel series of HIV integrase inhibitors, showing IC(50)s ranging from 0.01 to over 370microM in an enzymatic assay. Furthermore, pharmacophore modeling study for the inhibitors was carried out to elucidate the structure-activity relationships. Finally, we found a 3D-pharmacophore model, which is composed of a hydrophilic and a hydrophobic domain, providing valuable information for designing other novel types of integrase inhibitors.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::43aa73073ffd7101173844feb71d9e50 https://pubmed.ncbi.nlm.nih.gov/17010623 Zobrazit plný text záznamu Full Text from ScienceDirect