Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 16004-15-2, is researched, SMILESS is IC1=CC=C(CBr)C=C1, Molecular C7H6BrIJournal, Article, Pharmaceuticals called New InhA inhibitors based on expanded triclosan and Di-triclosan analogues to develop a new treatment for tuberculosis, Author is Chetty, Sarentha; Armstrong, Tom; Kharkwal, Shalu Sharma; Drewe, William C.; De Matteis, Cristina I.; Evangelopoulos, Dimitrios; Bhakta, Sanjib; Thomas, Neil R., the main research direction is triclosan preparation InhA Inhibition mol docking SAR; InhA; Mycobacterium bovis BCG; Mycobacterium tuberculosis; isoniazid; molecular modelling; structure-based drug-design; triazole; triclosan; tuberculosis.Product Details of 16004-15-2.
This work aimed to design new ‘direct’ InhA inhibitors that obviate the need for activation by KatG, circumventing pre-existing resistance. In silico mol. modeling was used as part of a rational structure-based drug-design approach involving inspection of protein crystal structures of InhA:inhibitor complexes, including the broad spectrum antibiotic triclosan (TCS). One crystal structure exhibited the unusual presence of two triclosan mols. within the Mycobacterium tuberculosis InhA binding site. This became the basis of a strategy for the synthesis of novel inhibitors. A series of new, flexible ligands were designed and synthesized, expanding on the triclosan structure. Low Min. Inhibitory Concentrations (MICs) were obtained for benzylphenyl compounds I [R = MeO, acetoxy, acetyl; R1 = MeO, methanesulfonyloxy; X = F, Cl, Br; Y =NH, O] and di-triclosan derivative II [R2 = MeO, R3 = Me], against Mycobacterium bovis BCG although these may also be inhibiting other enzymes. The ether linked di-triclosan derivative II [R2 = OH, R3 = 4-chloro-2-hydroxyphenyl] displayed excellent in-vitro isolated enzyme inhibition results comparable with triclosan, but at a higher MIC (125μg mL-1). These compounds offered good opportunities as leads for further optimization.
In some applications, this compound(16004-15-2)Product Details of 16004-15-2 is unique.If you want to know more details about this compound, you can contact with the author or consult more relevant literature.
Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics