1538-08-5Relevant articles and documents
Design, synthesis, biological evaluation and computational study of novel triazolo [4,3-a]pyrazin analogues
Jethava, Divya J.,Acharya, Prachi T.,Vasava, Mahesh S.,Bhoi, Manoj N.,Bhavsar, Zeel A.,Rathwa, Sanjay K.,Rajani, Dhanji P.,Patel, Hitesh D.
, p. 168 - 192 (2019/03/04)
The triazolo [4,3-a]pyrazin analogues are of interest due to their potential activity against various infectious and non-infectious disease. In search of suitable potent drug candidate, we report here the design, synthesis, characterization, biological activities and computation study of novel triazolo [4,3-a]pyrazin analogues. The synthesized molecules were characterized by various spectroscopic studies such as IR, Mass, 1H NMR, 13C NMR and elemental analysis. The newly synthesized compounds were evaluated for their in vitro biological activities such as anti-malarial, anti-tuberculosis, anti-bacterial and anti-fungal activities against plasmodium falciparum, H37Rv, various bacterial and fungal strains, respectively. The molecular docking study was carried out with enzyme aspartic proteinase zymogen proplasmepsin II from plasmodium falciparum to analyze their binding orientation in the active site of the aspartic proteinase enzyme. The best docking complex was subjected to molecular dynamics simulation to illustrate the stability of these complexes and the most prominent interactions during the simulated trajectory. We have also calculated ADMET properties of all the synthesized compounds to predict the pharmacokinetic properties for the selection of the active and bioavailability of compounds.
Blue phosphorescent bipyridine-based iridium(III) complex for vacuum-deposited organic light-emitting diodes
Jang, Jae-Ho,Park, Jeong Yong,Kim, Hee Un,Park, Hea Jung,Kang, In-Nam,Lee, Jun Yeob,Hwang, Do-Hoon
, p. 7047 - 7052 (2018/06/29)
We have synthesized and characterized a blue phosphorescent iridium(III) complex (dfpypy)2Ir(tftamp), which contains 2,6-difluoro-2,3-bipyridine (dfpypy) as the main ligand and 4-methyl-2-(3-trifluoromethyl-1H-1,2,4-triazol-5-yl)pyridine (tftamp) as the ancillary ligand. The photophysical, electrochemical, and electroluminescent (EL) properties of (dfpypy)2Ir(tftamp) were investigated. Vacuum-deposited blue and white organic light-emitting diodes (OLEDs) were fabricated using (dfpypy)2Ir(tftamp) in 1,3-bis(carbazol-9-yl)benzene (mCP) as the emitting layer. The EL spectrum of (dfpypy)2Ir(tftamp) exhibited emission maximum at 472 nm with a full-width at half-maximum (FWHM) of 81 nm and Commission Internationale de L’Eclairage (CIE) coordinates of (0.17, 0.27) at 100 cd · m?2. In addition, white-light-emitting devices were fabricated, which exhibited CIE coordinates of (0.42, 0.40) and a correlated color temperature (CCT) of 3,237 K at 1000 cd · m?2, close to the standard warm-white light CIE coordinates of (0.44, 0.40) and CCT of 3,000 K.
Efficient synthesis of tri- and difluoroacetyl hydrazides as useful building blocks for non-symmetrically substituted, fluoroalkylated 1,3,4-oxadiazoles
Mlostoń, Grzegorz,Obijalska, Emilia,?urawik, Alicja,Heimgartner, Heinz
, p. 133 - 139 (2016/07/06)
[Figure not available: see fulltext.] A convenient and efficient approach to 2-arylamino-5-fluoroalkyl-1,3,4-oxadiazoles has been established via heterocyclization of tri- and difluoroacetylated thiosemicarbazides using dicyclohexylcarbodiimide. A heteroc