15108-18-6Relevant articles and documents
Transition metal complexes of 2-(2-(1H-benzo[d]imidazol-2-yl)hydrazono)propan-1-ol: Synthesis, characterization, crystal structures and anti-tuberculosis assay with docking studies
Kamat, Vinayak,Kokare, Dhoolesh,Naik, Krishna,Kotian, Avinash,Naveen,Dixit, Sheshagiri R.,Lokanath,Joshi, Shrinivas D.,Revankar, Vidyanand K.
, p. 225 - 237 (2017)
Transition metal coordination complexes of Co(II), Ni(II), Cu(II) and Zn(II) with a newly designed ligand, 2-(2-(1H-benzo[d]imidazol-2-yl)hydrazono)propan-1-ol have been synthesized and characterized using various spectro-analytical techniques. The molecular structures of Co(II), Cu(II) and Zn(II) complexes are determined by single-crystal X-ray diffraction method. The metal to ligand stoichiometry has been found to be 1:2 in the case of Cobalt(II), Nickel(II) and Zinc(II) whereas 1:1 in the case of Copper(II) complex. The newly synthesized ligand and complexes have been assessed for their growth inhibiting potencies against H37Rv strain of Mycobacterium tuberculosis. The copper and cobalt complexes have emerged to be potent in vitro growth inhibitors of H37Rv. All the complexes are inhibiting the growth of other tested common microbial flora to a significantly lesser extent, making them selective towards H37Rv in the preliminary analysis. The consensus scores obtained by the docking studies of the molecules to the target protein enoyl acyl carrier protein reductase of M. tuberculosis H37Rv are in good agreement with the obtained MIC values.
Effect of acetate and nitrate anions on the molecular structure of 3-(hydroxyimino)-2-butanone-2-(1H-benzimidazol-2-yl)hydrazone
Kamat, Vinayak,Naik, Krishna,Revankar, Vidyanand K.
, p. 546 - 556 (2017)
A novel Schiff base ligand 3-(hydroxyimino)-2-butanone-2-(1H-benzimidazol-2-yl)hydrazone has been synthesized by the condensation reaction of 2-Hydrazinobenzimidazole with diacetyl monoxime in presence of acetic acid catalyst. The ligand has crystallized as its acetate salt, due to the charge-assisted hydrogen bonding between protonated benzimidazole ring and acetate anion. Efforts to synthesize the zinc(II) complex of the title compound, has resulted in the formation of a nitrate salt of the ligand, instead of coordination complex of zinc(II). Acetate salt has crystallized in monoclinic P 21/n, while the nitrate salt has crystallized in a triclinic crystal system with P -1 space group. Hirshfeld surface analysis is presented for both of the crystal structures. Structures of synthesized molecules are even computationally optimized using DFT. A comparative structural approach between the synthesized molecules and DFT optimized structure of bare ligand without any counterions is analyzed in terms of bond parameters. Hydrogen bonding is explained keeping the anions as the central dogma. Mass fragmentation pattern of the organic molecule and comparative account of IR, 1H and 13C NMR chemical shifts are also presented. Compounds are screened for their antibacterial and antifungal potencies against few pathogenic microorganisms. The organic motif is found be an excellent antifungal agent.
Design, synthesis, and antitumor activity of PLGA nanoparticles incorporating a discovered benzimidazole derivative as EZH2 inhibitor
Elkot, Hoda A.,Ragab, Ibrahim,Saleh, Noha M.,Amin, Mohamed N.,Al-Rashood, Sara T.,El-Messery, Shahenda M.,Hassan, Ghada S.
, (2021/05/31)
Purpose: Targeting enhancer of zeste homolog 2 (EZH2) can represent a hopeful strategy for oncotherapy. Also, the use of PLGA-based nanoparticles as a novel and rate-controlling carrier system was of our concern. Methods: Benzimidazole derivatives were synthesized, and their structures were clarified. In vitro antitumor activity was evaluated. Then, a modeling study was performed to investigate the ability of the most active compounds to recognize EZH2 active sites. Compound 30 (Drug) was selected to conduct pre-formulation studies and then it was incorporated into polymeric PLGA nanoparticles (NPs). NPs were then fully characterized to select an optimized formula (NP4) that subjected to further evaluation regarding antitumor activity and protein expression levels of EZH2 and EpCAM. Results: The results showed the antitumor activity of some synthesized derivatives. Docking outcomes demonstrated that Compound 30 was able to identify EZH2 active sites. NP4 exhibited promising findings and proved to keep the antitumor activity of Compound 30. HEPG-2 was the most sensitive for both Drug and NP4. Protein analysis indicated that Drug and NP4 had targeted EZH2 and the downstream signaling pathway leading to the decline of EpCAM expression. Conclusions: Targeting EZH2 by Compound 30 has potential use in the treatment of cancer especially hepatocellular carcinoma.
COMPOUNDS AS RAS INHIBITORS AND USE THEREOF
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Paragraph 0197, (2019/04/11)
A compound of Formula (Ia) or (Ib), or a pharmaceutically acceptable salt thereof is described, wherein the substituents are as defined herein. Pharmaceutical compositions comprising the same and method of using the same are also described.
