title: Investigation of the pharmacophore space of Severe Acute Respiratory Syndrome coronavirus (SARS-CoV) NTPase/helicase by dihydroxychromone derivatives.
abstract: Aryl diketoacids have been identified as the first SARS-CoV NTPase/helicase inhibitors with a distinct pharmacophore featuring an arylmethyl group attached to a diketoacid. In order to search for the pharmacophore space around the diketoacid core, three classes of dihydroxychromone derivatives were prepared. Based on SAR study, an extended feature of the pharmacophore model of SARS-CoV NTPase/helicase was proposed which is constituted of a diketoacid core, a hydrophobic arylmethyl substituent, and a free catechol unit.
authors.affiliation: Department of Bioscience & Biotechnology, Konkuk University, Seoul 143-701, Republic of Korea.
authors.forename: Chaewoon
authors.initials: C
authors.lastname: Lee
authors.forename: Jin Moo
authors.initials: JM
authors.lastname: Lee
authors.forename: Na-Ra
authors.initials: NR
authors.lastname: Lee
authors.forename: Dong-Eun
authors.initials: DE
authors.lastname: Kim
authors.forename: Yong-Joo
authors.initials: YJ
authors.lastname: Jeong
authors.forename: Youhoon
authors.initials: Y
authors.lastname: Chong
mesh_terms: D000998:Antiviral Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D002396:Catechols / Q000737:chemistry; D002867:Chromones / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D004265:DNA Helicases / Q000037:antagonists & inhibitors* / Q000378:metabolism; D004791:Enzyme Inhibitors / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D045473:Severe acute respiratory syndrome-related coronavirus / Q000201:enzymology*; D013329:Structure-Activity Relationship
chemical_list: D000998:Antiviral Agents; D002396:Catechols; D002867:Chromones; D004791:Enzyme Inhibitors; D004265:DNA Helicases; C034221:catechol