50624-64-1Relevant articles and documents
Design, synthesis, biological screening and molecular docking studies of novel multifunctional 1,4-di (aryl/heteroaryl) substituted piperazine derivatives as potential antitubercular and antimicrobial agents
Mekonnen Sanka, Bruktawit,Mamo Tadesse, Dereje,Teju Bedada, Endale,Mengesha, Ephriem T.,Babu G., Neelaiah
, (2022/01/20)
In this paper, two series of novel multifunctional 1, 4-di (aryl/heteroaryl) substituted piperazine derivatives (6a-d & 7a-d) were synthesized, characterized, and evaluated for their antitubercular, antibacterial, and antifungal activities. A step-wise reduction, bromination and substitution reactions on various aldehydes resulted in alcohols (2a–d), bromides (3a–d), and titled novel compounds (6a–d & 7a–d) in moderate to good yields (48–85%). The novel compounds were evaluated for their antitubercular and antimicrobial activities. Compound 7a exhibited promising antitubercular activity (MIC: 0.65 μg/mL) almost equal to the Rifampicin, while the rest of the compounds were moderately active against MTB H37Rv except 6b. Compounds 7a and 6b showed good activity against tested fungal pathogens. Compounds 7a and 7b were proven as the best bacterial agents. Molecular docking studies were in agreement with the in-vitro results. Docking analyses show that all the synthesized molecules bind to the target protein Mtb RNAP (PDB ID: 5UHC) fairly strongly. All the compounds were evaluated for their in vitro cytotoxicity effect using the MTT assay method against human cancer cell line MCF-7. The compounds demonstrated growth inhibitory effect on the cell line with significant IC50 values ranging between 8.20 and 34.45 μM. Most importantly, compound 7a displayed good binding affinity towards the tested protein with binding energy ?7.30 kcal/mol and a stronger hydrogen bond distance of 2.2 ? with ASN-493 residue. Thus, the present research highlighted the potential role of novel piperazine derivatives as potential antitubercular, and antimicrobial candidates and further good research into optimization might result in the development of new antitubercular drug candidates.
Direct Synthesis of Molecular Self-Complexes in the Indole Series
Kost, A. N.,Yurovskaya, M. A.,Vyazgin, A. S.,Afanas'ev, A. Z.
, p. 921 - 925 (2007/10/02)
A method for the alkylation of 3-unsubstituted indoles by means of 1-(ω-haloalkyl)-pyridinium salts via the Friedel-Crafts reaction with the aid of complex catalysts, viz., complexes of zinc, tin, and titanium chlorides with pyridine, was developed.On the basis of a study of the electronic spectra of the resulting 1-(3-indolyl-alkyl)pyridinium salts it was shown that they are molecular self-complexes.The stabilities of the molecular self-complexes were investigated as a function of the length of the alkyl chain and the character of the substituents in the indole ring.
