The author of 《Investigation of the molecular characteristics of bisindole inhibitors as HIV-1 glycoprotein-41 fusion inhibitors》 were Zhou, Guangyan; Chu, Shidong; Nemati, Ariana; Huang, Chunsheng; Snyder, Beth A.; Ptak, Roger G.; Gochin, Miriam. And the article was published in European Journal of Medicinal Chemistry in 2019. Recommanded Product: Methyl 3-(bromomethyl)benzoate The author mentioned the following in the article:
In previous work, we described 6-6′-bisindole compounds targeting a hydrophobic pocket on the N-heptad repeat region of viral glycoprotein-41 as effective inhibitors of HIV-1 fusion. Two promising compounds with sub-micromolar IC50’s contained a benzoic acid group and a benzoic acid ester attached at the two indole nitrogens. Here we have conducted a thorough structure-activity relationship (SAR) study evaluating the contribution of each of the ring systems and various substituents to compound potency. Hydrophobicity, polarity and charge were varied to produce 35 new compounds that were evaluated in binding, cell-cell fusion and viral infectivity assays. We found that (a) activity based solely on increasing hydrophobic content plateaued at ∼ 200 nM; (b) the bisindole scaffold surpassed other heterocyclic ring systems in efficacy; (c) a polar interaction possibly involving Gln575 in the pocket could supplant less specific hydrophobic interactions; and (d) the benzoic acid ester moiety did not appear to form specific contacts with the pocket. The importance of this hydrophobic group to compound potency suggests a mechanism whereby it might interact with a tertiary component during fusion, such as membrane. A promising small mol. 10b with sub-μM activity was discovered with mol. weight <500 da and reduced logP compared to earlier compounds The work provides insight into requirements for small mol. inhibition of HIV-1 fusion. In the experiment, the researchers used many compounds, for example, Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Recommanded Product: Methyl 3-(bromomethyl)benzoate)
Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) belongs to organobromine compounds.The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. Recommanded Product: Methyl 3-(bromomethyl)benzoate The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary