Pharmacophore identification of ascofuranone, potent inhibitor of cyanide-insensitive alternative oxidase of Trypanosoma brucei was written by Saimoto, Hiroyuki;Kido, Yasutoshi;Haga, Yasushi;Sakamoto, Kimitoshi;Kita, Kiyoshi. And the article was included in Journal of Biochemistry in 2013.Formula: C12H18O3 The following contents are mentioned in the article:
Trypanosoma brucei is a parasite that causes human African trypanosomiasis (HAT). The parasites depend on the cyanide-insensitive trypanosome alternative oxidase (TAO) for their vital aerobic respiration. Ascofuranone (AF), a potent and specific sub-nanomolar inhibitor of the TAO quinol oxidase, is a potential novel drug with selectivity for HAT, because mammalian hosts lack the enzyme. To elucidate not only the inhibition mechanism but also the inhibitor-enzyme interaction, AF derivatives were designed and synthesized, and the structure-activity relationship was evaluated. Here the pharmacophore of AF that interacts with TAO was identified. The detailed inhibitory profiles indicated that the 1-formyl and 6-hydroxyl groups, which might contribute to intramol. hydrogen bonding and/or serve as hydrogen-bonding donors, were responsible for direct interaction with the enzyme. This study involved multiple reactions and reactants, such as (2E,6E)-3,7-Dimethyl-8-oxoocta-2,6-dien-1-yl acetate (cas: 37905-02-5Formula: C12H18O3).
(2E,6E)-3,7-Dimethyl-8-oxoocta-2,6-dien-1-yl acetate (cas: 37905-02-5) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Formula: C12H18O3
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics