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agents halogénés

Xuefeng Guo, Chao Yu, Zhouyang Yin, Shouheng Sun, Christopher Takakazu Seto
We report a Ni30Pd70/nitrogen-doped graphene (NG) catalyst that hydrodehalogenates halogenated aromatics under mild reaction conditions. It reduces mono- or dichloroarenes to the corresponding dehalogenated arenes in >90% yield in 10% aqueous isopropanol solvent at or below 50C within 5 hours. Tests on a variety of substrates containing various functional groups show that the catalyst is selective for reduction of C-Cl and C-Br bonds. In addition, this catalyst completely hydrodehalogenates high concentration solutions of dioxin, polychlorinated biphenyls (PCBs), chloroaromatic constituents of the defoliant agent orange, and polybrominated diphenyl ethers (PBDEs) in 12 hours...
March 14, 2018: ChemSusChem
Rajesh B Patil, Euzebio G Barbosa, Jaiprakash N Sangshetti, Vishal P Zambre, Sanjay D Sawant
Dipeptidyl peptidase-IV (DPP-IV) inhibitors are promising antidiabetic agents. Currently, several DPP-IV inhibitors have been approved for therapeutic use in diabetes mellitus. Receptor-dependent 4D-QSAR is comparatively a new approach which uses molecular dynamics simulations to generate conformational ensemble profiles of compounds representing a dynamic state of compounds at a target's binding site. This work describes a receptor-dependent 4D-QSAR study on triazolopiperazine derivatives. QSARINS multiple linear regression method was adopted to generate 4D-QSAR models...
March 13, 2018: Molecular Diversity
Robin Schürmann, Stefanie Vogel, Kenny Ebel, Ilko Bald
High-energy radiation is used in combination with radiosensitizing therapeutics to treat cancer. The most common radiosensitizers are halogenated nucleosides and cisplatin derivatives, and recently also metal nanoparticles have been suggested as potential radiosensitizing agents. The radiosensitizing action of these compounds can at least partly be ascribed to an enhanced reactivity towards secondary low-energy electrons generated along the radiation track of the high-energy primary radiation, or to an additional emission of secondary reactive electrons close to the tumour tissue...
March 9, 2018: Chemistry: a European Journal
Okiemute Rosa Johnson-Ajinwo, Imran Ullah, Haddijatou Mbye, Alan Richardson, Paul Horrocks, Wen-Wu Li
Thymoquinone (TQ), 2-isopropyl-5-methyl-1,4-benzoquinone, a natural product isolated from Nigella sativa L., has previously been demonstrated to exhibit antiproliferative activity in vitro against a range of cancers as well as the human malarial parasite Plasmodium falciparum. We describe here the synthesis of a series of analogues of TQ that explore the potential for nitrogen-substitution to this scaffold, or reduction to a hydroquinone scaffold, in increasing the potency of this antiproliferative activity against ovarian cancer cell lines and P...
February 27, 2018: Bioorganic & Medicinal Chemistry Letters
Addila Abu Bakar, Muhammad Nadeem Akhtar, Norlaily Mohd Ali, Swee Keong Yeap, Ching Kheng Quah, Wan-Sin Loh, Noorjahan Banu Alitheen, Seema Zareen, Zaheer Ul-Haq, Syed Adnan Ali Shah
Flavokawain B ( 1 ) is a natural chalcone extracted from the roots of Piper methysticum, and has been proven to be a potential cytotoxic compound. Using the partial structure of flavokawain B (FKB), about 23 analogs have been synthesized. Among them, compounds 8 , 13 and 23 were found in new FKB derivatives. All compounds were evaluated for their cytotoxic properties against two breast cancer cell lines, MCF-7 and MDA-MB-231, thus establishing the structure-activity relationship. The FKB derivatives 16 (IC50 = 6...
March 8, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
Jia-Jun Li, Jun Ma, Ya-Bing Xin, Zhe-Shan Quan, Yu-Shun Tian
Eighteen novel 2,3-diphenyl acrylonitrile derivatives bearing halogens were designed, synthesized and evaluated for biological activity. Preliminary in vitro results indicated that the majority of the compounds with a para-substituted halogen had considerable anti-proliferatory activity against five human cancer cell lines, including MGC-803, AGS, and BEL-7402, with IC50 values in the range of 0.46-100 μM. No significant toxic effects on the non-cancerous human liver cell line L-02 were observed. The selective inhibitory activities against cancer cells were significantly better than that of the control lead compound CA-4 and CA-4P...
March 8, 2018: Chemical Biology & Drug Design
Mingquan Yan, Zhanghao Chen, Na Li, Yuxuan Zhou, Chenyang Zhang, Gregory Korshin
This study examined the electrochemical (EC) reduction of iodinated contrast media (ICM) exemplified by iopamidol and diatrizoate. The method of rotating ring-disc electrode (RRDE) was used to elucidate rates and mechanisms of the EC reactions of the selected ICMs. Experiments were carried at varying hydrodynamic conditions, concentrations of iopamidol, diatrizoate, natural organic matter (NOM) and model compounds (resorcinol, catechol, guaiacol) which were used to examine interactions between products of the EC reduction of ICMs and halogenation-active species...
February 21, 2018: Water Research
Sanal Dev, Sunil R Dhaneshwar, Bijo Mathew
AIM AND OBJECTIVE: For the development of new class of anticancer agents, a series of novel 2-amino-3-cyanopyridine derivatives were designed from virtual screening with Glide program by setting Topoisomerase II as the target. MATERIALS AND METHODS: The top ranked ten molecules from the virtual screening were synthesized by microwave assisted technique and investigated for their cytotoxic activity against MCF-7 and A-549 cell lines by using sulforhodamine B assay method...
February 27, 2018: Combinatorial Chemistry & High Throughput Screening
Paloma Begines, Ana Oliete, Óscar López, Inés Maya, Gabriela B Plata, José M Padrón, José G Fernández-Bolaños
AIM: The increasing number of cancer cases has stimulated researchers to seek for novel approaches. We have combined two bioactive moieties: a polyphenolic scaffold and an organoselenium motif. Four different families (isothiocyanates/thioureas, and their selenium isosters) derived from dopamine, (±)-norepinephrine and R-epinephrine were accessed. RESULTS: Heterocumulenes derived from dopamine and β-O-methylnoradrenaline were strong antiproliferative agents (GI50<10 μM)...
February 1, 2018: Future Medicinal Chemistry
Tatyana V Vakhrusheva, Daria V Grigorieva, Irina V Gorudko, Alexey Sokolov, Valeria A Kostevich, Vassili N Lazarev, Vadim B Vasilyev, Sergey N Cherenkevich, Oleg M Panasenko
Myeloperoxidase (MPO), found mainly in neutrophils, is released in inflammation. MPO produces reactive halogen species (RHS) which are bactericidal agents. However, RHS overproduction, i.e. halogenative stress, can also damage host biomolecules, and MPO itself may be targeted by RHS. Therefore, we examined the susceptibility of MPO to inactivation by its primary products (HOCl, HOBr, HOSCN) and secondary products such as taurine monochloramine (TauCl) and monobromamine (TauBr). MPO was dose-dependently inhibited up to complete inactivity by treatment with HOCl or HOBr...
February 2, 2018: Biochemistry and Cell Biology, Biochimie et Biologie Cellulaire
Yanjun Guo, Chenhong Meng, Xueli Liu, Chen Li, Aibao Xia, Zhenyuan Xu, Danqian Xu
The successful development of the classical Pinnick oxidation into a new and promising oxidative lactonization reaction is reported. Chiral 3-oxindolepropionic aldehydes, Michael adducts of 3-olefinic oxindoles with aliphatic aldehydes, are directly converted to spirocyclic oxindole-γ-lactones solely by sodium chlorite via a tandem Pinnick oxidation/chlorination/substitution sequence. This reaction uses waste ClO- generated in the initial Pinnick oxidation as an ecofriendly halogenating agent for the subsequent chlorination, and then it utilizes the byproduct OH- formed in the chlorination to facilitate the final internal substitution...
February 2, 2018: Organic Letters
Xia Liu, Xin Zhao, Fushun Liang, Baoyi Ren
An efficient halogenation of electron-deficient (hetero)arenes is described. The reaction utilizes common t-BuONa as a catalyst (for iodination) or a promoter (for bromination and chlorination), and perfluorobutyl iodide, CBr4 or CCl4 as the readily-available halogenating agents, respectively. The protocol features broad scope, high efficiency, mild conditions and gram scalability. An ionic pathway involving halogen bond formation and halophilic attack is proposed. The utility of the resulting iodinated heteroarenes is demonstrated in visible light-mediated Caryl-Caryl cross-coupling reaction...
January 17, 2018: Organic & Biomolecular Chemistry
Peng-Hui Li, Hong Jiang, Wen-Jin Zhang, Yong-Lian Li, Min-Cong Zhao, Wei Zhou, Lan-Yue Zhang, Ya-Dong Tang, Chang-Zhi Dong, Zhi-Shu Huang, Hui-Xiong Chen, Zhi-Yun Du
Novel topoisomerase II (Topo II) inhibitors have gained considerable interest for the development of anticancer agents. In this study, a series of carbazole derivatives containing chalcone analogs (CDCAs) were synthesized and investigated for their Topo II inhibition and cytotoxic activities. The results from Topo II mediated DNA relaxation assay showed that CDCAs could significantly inhibit the activity of Topo II, and the structure-activity relationship indicated the halogen substituent in phenyl ring play an important role in the activity...
January 6, 2018: European Journal of Medicinal Chemistry
Sujin Park, Eun Hye Kim, Jinwoo Kim, Seong Hwan Kim, Ikyon Kim
A new chemical space was explored based on an indolizine-chalcone hybrid, which was readily accessible by base-mediated aldol condensation of indolizine bearing a 7-acetyl group with various (hetero)aromatic aldehydes. Their anticancer effect was evaluated, revealing that indolizine-chalcone hybrids with 3,5-dimethoxyphenyl group (4h) or the halogen at the meta position (4j and 4l) could have the potential to induce the caspase-dependent apoptosis of human lymphoma cells.
December 19, 2017: European Journal of Medicinal Chemistry
Xianyi Mei, Xiaoli Yan, Hui Zhang, Mingjia Yu, Guangqing Shen, Linjun Zhou, Zixin Deng, Chun Lei, Xudong Qu
Anthrabenzoxocinones (ABXs) including (-)-ABXs and (+)-ABXs are a group of bacterial FabF-specific inhibitors with potent antimicrobial activity of resistant strains. Optimization of their chemical structures is a promising method to develop potent antibiotics. Through biosynthetic investigation, we herein identified and characterized two highly promiscuous enzymes involved in the (-)-ABX structural modification. The promiscuous halogenase and methyltransferase can respectively introduce halogen-modifications into various positions of the ABX scaffolds and methylation to highly diverse substrates...
January 19, 2018: ACS Chemical Biology
Izabela Szczuka, Andrzej Gamian, Grzegorz Terlecki
3-Bromopyruvate (3-BrPA) is an halogenated analogue of pyruvic acid known for over four decades as an alkylating agent reacting with thiol groups of many proteins. It enters animal cells like a lactate: via monocarboxylic acid transporters. Increasing interest in this compound, in recent times, is mainly due to hopes associated with its anticancer action. It is based on the impairment of energy metabolism of tumor cells by inhibiting enzymes in the glycolysis pathway (hexokinase II, glyceraldehyde 3-phosphate dehydrogenase, phosphoglycerate kinase) and the oxidative phosphorylation (succinate dehydrogenase)...
December 8, 2017: Postȩpy Higieny i Medycyny Doświadczalnej
Yali Wang, Situ Xue, Ruolan Li, Zhihui Zheng, Hong Yi, Zhuorong Li
A series of chalcone derivatives bearing benzamide or benzenesulfonamide moieties were synthesized and evaluated for their anti-tumor effect on HCT116, MCF7 and 143B cell lines in vitro. SAR analysis showed that compounds bearing a benzenesulfonamide group had greater potency than those bearing a benzamide group. It was also shown that compounds with a mono-methyl or mono-halogen group at the 3-position on the terminal phenyl ring were more effective than those with trifluoromethyl or methoxy groups. Compound 8e exhibited the most potent anti-tumor activities against HCT116, MCF7 and 143B cell lines, with IC50 values of 0...
January 1, 2018: Bioorganic & Medicinal Chemistry
Tugce Ipek, Mariana Petronela Hanga, Andreas Hartwig, James Wolffsohn, Clare O'Donnell
PURPOSE: Cataract surgery can lead to the temporary development or worsening of dry eye symptoms. Contributing factors may include corneal incisions, agents used before, during or after surgery, light from the operating microscope, disruption of ocular surface tissues and inflammatory processes. The purpose of this study was to observe the effect of light exposure on conjunctival fibroblasts in order to determine whether light has an effect on wound healing closure, assuming that operating microscopes might have an effect on the ocular surface...
February 2018: Contact Lens & Anterior Eye: the Journal of the British Contact Lens Association
Kristina Pavić, Ivana Perković, Šárka Pospíšilová, Marta Machado, Diana Fontinha, Miguel Prudêncio, Josef Jampilek, Aidan Coffey, Lorraine Endersen, Hrvoje Rimac, Branka Zorc
Four series of primaquine (PQ) derivatives were screened for antitubercular and antiplasmodial activity: amides 1a-k, ureas 2a-s, semicarbazides 3a-c and bis-ureas 4a-u. Antimycobacterial activity of PQ derivatives against Mycobacterium tuberculosis (MTB), M. avium complex (MAC) and M. avium subsp. paratuberculosis (MAP) were evaluated in vitro and compared with PQ and the standard antitubercular drugs. In general, the PQ derivatives showed higher potency than the parent compound. Most of the compounds of series 1 and 2 showed high activity against MAP, comparable or even higher than the relevant drug ciprofloxacin, and weak or no activity against MTB and MAC...
January 1, 2018: European Journal of Medicinal Chemistry
Seul Ki Yeon, Ji Won Choi, Jong-Hyun Park, Ye Rim Lee, Hyeon Jeong Kim, Su Jeong Shin, Bo Ko Jang, Siwon Kim, Yong-Sun Bahn, Gyoonhee Han, Yong Sup Lee, Ae Nim Pae, Ki Duk Park
Benzyloxyphenyl moiety is a common structure of highly potent, selective and reversible inhibitors of monoamine oxidase B (MAO-B), safinamide and sembragiline. We synthesized 4-(benzyloxy)phenyl and biphenyl-4-yl derivatives including halogen substituents on the terminal aryl unit. In addition, we modified the carbon linker between amine group and the biaryl linked unit. Among synthesized compounds, 12c exhibited the most potent and selective MAO-B inhibitory effect (hMAO-B IC50 : 8.9 nM; >10,000-fold selectivity over MAO-A) as a competitive inhibitor...
January 1, 2018: Bioorganic & Medicinal Chemistry
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