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European Journal of Medicinal Chemistry

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https://www.readbyqxmd.com/read/28334655/morpholine-or-methylpiperazine-and-salicylaldimine-based-heteroleptic-square-planner-platinum-ii-complexes-in%C3%A2-vitro-anticancer-study-and-growth-retardation-effect-on-e-%C3%A2-coli
#1
Faiz-Ur Rahman, Amjad Ali, Inam Ullah Khan, Hong-Quan Duong, Shang-Bo Yu, Yue-Jian Lin, Hui Wang, Zhan-Ting Li, Dan-Wei Zhang
Morpholine and methylpiperazine are among the most important structural parts of different drugs including organic chemotherapeutic agents. In the current study we incorporated these entities as co-ligand and a series of structurally related mono- and di-metallic square planner Pt(II) complexes (Pt(II)(salicylaldimine)(morpholine)Cl C1a-C3a, Pt(II)(salicylaldimine) (methylpiperazine)Cl C1b-C3b, di-metallic Pt(II)2(bis-salicylaldimine)(morpholine)2Cl2C4a and Pt(II)2(bis-salicylaldimine)(methylpiperazine)2Cl2C4b were prepared...
March 18, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28334643/dual-tail-approach-to-discovery-of-novel-carbonic-anhydrase-ix-inhibitors-by-simultaneously-matching-the-hydrophobic-and-hydrophilic-halves-of-the-active-site
#2
Zhuang Hou, Bin Lin, Yu Bao, Hai-Ning Yan, Miao Zhang, Xiao-Wei Chang, Xin-Xin Zhang, Zi-Jie Wang, Gao-Fei Wei, Mao-Sheng Cheng, Yang Liu, Chun Guo
Dual-tail approach was employed to design novel Carbonic Anhydrase (CA) IX inhibitors by simultaneously matching the hydrophobic and hydrophilic halves of the active site, which also contains a zinc ion as part of the catalytic center. The classic sulfanilamide moiety was used as the zinc binding group. An amino glucosamine fragment was chosen as the hydrophilic part and a cinnamamide fragment as the hydrophobic part in order to draw favorable interactions with the corresponding halves of the active site. In comparison with sulfanilamide which is largely devoid of the hydrophilic and hydrophobic interactions with the two halves of the active site, the compounds so designed and synthesized in this study showed 1000-fold improvement in binding affinity...
March 16, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28329730/synthesis-of-novel-quinoline-based-4-5-dihydro-1h-pyrazoles-as-potential-anticancer-antifungal-antibacterial-and-antiprotozoal-agents
#3
Jonathan Ramírez-Prada, Sara M Robledo, Iván D Vélez, María Del Pilar Crespo, Jairo Quiroga, Rodrigo Abonia, Alba Montoya, Laura Svetaz, Susana Zacchino, Braulio Insuasty
A new series of N-substituted 2-pyrazolines 9a-f, 10a-f, 11a-f, 12a-f and 13a-f were obtained from the cyclocondensation reaction of [(7-chloroquinolin-4-yl)amino]chalcones 8a-f with hydrazine hydrate and its derivatives. Fourteen of the synthesized compounds including the starting chalcones were selected by US National Cancer Institute (NCI) for testing their anticancer activity against 60 different human cancer cell lines, with the most important GI50 values ranging from 0.28 to 11.7 μM (0.13-6.05 μg/mL) and LC50 values ranging from 2...
March 16, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28324783/recent-updates-of-carbapenem-antibiotics
#4
REVIEW
Mohammed I El-Gamal, Imen Brahim, Noorhan Hisham, Rand Aladdin, Haneen Mohammed, Amany Bahaaeldin
Carbapenems are among the most commonly used and the most efficient antibiotics since they are relatively resistant to hydrolysis by most β-lactamases, they target penicillin-binding proteins, and generally have broad-spectrum antibacterial effect. In this review, we described the initial discovery and development of carbapenems, chemical characteristics, in vitro/in vivo activities, resistance studies, and clinical investigations for traditional carbapenem antibiotics in the market; imipenem-cilastatin, meropenem, ertapenem, doripenem, biapenem, panipenem/betamipron in addition to newer carbapenems such as razupenem, tebipenem, tomopenem, and sanfetrinem...
March 16, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28324784/an-in%C3%A2-vivo-active-1-2-5-oxadiazole-pt-ii-complex-a-promising-anticancer-agent-endowed-with-stat3-inhibitory-properties
#5
Federica Porta, Giorgio Facchetti, Nicola Ferri, Arianna Gelain, Fiorella Meneghetti, Stefania Villa, Daniela Barlocco, Daniela Masciocchi, Akira Asai, Nao Miyoshi, Silvia Marchianò, Byoung-Mog Kwon, Yena Jin, Valentina Gandin, Cristina Marzano, Isabella Rimoldi
New Pt(II) complexes (Pt-1-3) bearing 1,2,5-oxadiazole ligands (1-3) were synthesized, characterized and evaluated for their ability to disrupt STAT3 dimerization. Ligand 3·HCl showed cytotoxic effects on HCT-116 cells (IC50 = 95.2 μM) and a selective ability to interact with STAT3 (IC50 = 8.2 μM) versus STAT1 (IC50 > 30 μM). Its corresponding platinum complex Pt-3 exhibited an increased cytotoxicity (IC50 = 18.4 μM) and a stronger interaction with STAT3 (IC50 = 1.4 μM), leading to inhibition of its signaling pathway...
March 15, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28334654/synthesis-and-biological-evaluation-of-a-new-series-of-benzimidazole-derivatives-as-antimicrobial-antiquorum-sensing-and-antitumor-agents
#6
N S El-Gohary, M I Shaaban
New benzimidazole derivatives were synthesized and assessed for antimicrobial efficacy toward Escherichia coli, Bacillus cereus, Staphylococcus aureus, Candida albicans and Aspergillus fumigatus 293. Results indicated that compounds 3c and 3n have promising activity toward S. aureus, whereas 3i exhibited remarkable efficacy toward B. cereus. Moreover, compound 3c was proved to be the most active antifungal analog toward C. albicans. On the other hand, 3n displayed the highest activity against A. fumigatus 293...
March 14, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28319781/systematic-study-of-imidazoles-inhibiting-ido1-via-the-integration-of-molecular-mechanics-and-quantum-mechanics-calculations
#7
Yi Zou, Fang Wang, Yan Wang, Wenjie Guo, Yihua Zhang, Qiang Xu, Yisheng Lai
Indoleamine 2,3-dioxygenase 1 (IDO1) is regarded as an attractive target for cancer immunotherapy. To rationalize the detailed interactions between IDO1 and its inhibitors at the atomic level, an integrated computational approach by combining molecular mechanics and quantum mechanics methods was employed in this report. Specifically, the binding modes of 20 inhibitors was initially investigated using the induced fit docking (IFD) protocol, which outperformed other two docking protocols in terms of correctly predicting ligand conformations...
March 14, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28324785/-ub006-a-new-fatty-acid-synthase-inhibitor-and-cytotoxic-agent-without-anorexic-side-effects
#8
Kamil Makowski, Joan Francesc Mir, Paula Mera, Xavier Ariza, Guillermina Asins, Fausto G Hegardt, Laura Herrero, Jordi García, Dolors Serra
C75 is a synthetic anticancer drug that inhibits fatty acid synthase (FAS) and shows a potent anorexigenic side effect. In order to find new cytotoxic compounds that do not impact food intake, we synthesized a new family of C75 derivatives. The most promising anticancer compound among them was UB006 ((4SR,5SR)-4-(hydroxymethyl)-3-methylene-5-octyldihydrofuran-2(3H)-one). The effects of this compound on cytotoxicity, food intake and body weight were studied in UB006 racemic mixture and in both its enantiomers separately...
March 12, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28315598/n-piperonyl-substitution-on-aminoquinoline-pyrimidine-hybrids-effect-on-the-antiplasmodial-potency
#9
Rohit Kholiya, Shabana I Khan, Aparna Bahuguna, Mohit Tripathi, Diwan S Rawat
A series of 4-aminoquinoline-piperonyl-pyrimidine hybrids were synthesized with the aim of identifying compounds with enhanced antimalarial activity. All the synthesized molecules were evaluated in vitro against cultured Plasmodium falciparum W2 and D6 strains and exhibited potent antiplasmodial activities with IC50 values in the range of 0.02-5.16 μM. Out of the 22 synthesised hybrids, 12 were found to be better (up to eight-fold more active) than chloroquine (CQ), particularly against the CQ-resistant W2 strain of P...
March 11, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28288319/synthesis-of-heterocyclic-ring-fused-tricyclic-diterpene-analogs-as-novel-inhibitors-of-rankl-induced-osteoclastogenesis-and-bone-resorption
#10
Gao Wei, Yalan Wu, Xiao-Long He, Ting Liu, Mingyao Liu, Jian Luo, Wen-Wei Qiu
A series of heterocyclic ring-fused tricyclic diterpene analogs were synthesized and their inhibitory effects of RANKL-induced osteoclastogenesis were evaluated on bone marrow-derived monocytes (BMMs) by a cell based tartrate-resistant acid phosphatase (TRAP) activity assay. Among them, the most potent compound, 37 (QG368), showed 72.3% inhibition even at a low concentration of 0.1 μM, which was about 188-fold more potent than the lead compound. Cytotoxicity test on BMMs indicated that the inhibition on osteoclast differentiation of 37 did not result from its cytotoxicity...
March 9, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28319782/synthesis-and-antiplasmodial-activity-of-novel-indoleamide-derivatives-bearing-sulfonamide-and-triazole-pharmacophores
#11
N Devender, Sarika Gunjan, Renu Tripathi, Rama Pati Tripathi
Due to the recent reports of growing parasite resistance to artemisinins and other antimalarial drugs, development of new antimalarial chemotypes is an urgent priority. Here in, we report a novel series of adamantyl/cycloheptyl indoleamide derivatives bearing sulfonamide and triazole pharmacophores adopting different chemical modifications and evaluated them for antiplasmodial activity in vitro. Among all the indoleamides, compounds 22, 24, 26 and 30 with sulfonamide pharmacophore showed promising activity with IC50 of 1...
March 8, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28319780/new-bis-hydroxymethyl-alkanoate-curcuminoid-derivatives-exhibit-activity-against-triple-negative-breast-cancer-in%C3%A2-vitro-and-in%C3%A2-vivo
#12
Min-Tsang Hsieh, Ling-Chu Chang, Hsin-Yi Hung, Hui-Yi Lin, Mei-Hui Shih, Chang-Hai Tsai, Sheng-Chu Kuo, Kuo-Hsiung Lee
Novel bis(hydroxymethyl) alkanoate curcuminoid derivatives were designed, synthesized and screened for in vitro antiproliferative and in vivo antitumor activity. Selected new compound 9a and curcumin were further evaluated for inhibitory activity against ER(+)/PR(+) breast cancer (MCF-7, T47D), HER 2(+) breast cancer (SKBR3, BT474, and MDA-MB-457) and triple negative breast cancer (TNBC) (HS-578T, MDA-MB-157, and MDA-MB-468) cell lines. In addition, compound 9a was evaluated in the MDA-MB-231 xenograft nude mice model...
March 8, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28301816/mao-enzymes-inhibitory-activity-of-new-benzimidazole-derivatives-including-hydrazone-and-propargyl-side-chains
#13
Özgür Devrim Can, Derya Osmaniye, Ümide Demir Özkay, Begüm Nurpelin Sağlık, Serkan Levent, Sinem Ilgın, Merve Baysal, Yusuf Özkay, Zafer Asım Kaplancıklı
In the present work, 15 new N'-(arylidene)-4-(1-(prop-2-yn-1-yl)-1H-benzo[d]imidazol-2-yl)benzohydrazide (4a-4o) were designed and synthesized. The structures of the synthesized compounds were elucidated using FT-IR, (1)H-NMR, (13)C-NMR, and HRMS spectral data. The inhibitory activity of the compounds 4a-4o against hMAO-A and hMAO-B enzymes was evaluated by using in vitro Amlex Red(®) reagent based fluorometric method. Due to lots of high-cost kits including this assay, we determined the ingredients of the kits from the data sheets of several suppliers, and adjusted a protocol by working with various concentrations and volumes of these ingredients...
March 8, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28301815/synthesis-and-biological-evaluation-of-novel-podophyllotoxin-nsaids-conjugates-as-multifunctional-anti-mdr-agents-against-resistant-human-hepatocellular-carcinoma-bel-7402-5-fu-cells
#14
Lei Zhang, Lai Liu, Chengyue Zheng, Yang Wang, Xuqiang Nie, Dabin Shi, Yongzheng Chen, Gang Wei, Jing Wang
Currently, multi-drug resistance (MDR) to chemotherapy agents is a major hindrance to the treatment of hepatocellular carcinoma. Development of novel antineoplastic drug with anti-MDR activity is an effectively way to overcome cancer resistance. In present study, novel podophyllotoxin-NSAIDs conjugates were synthesized, and their antiproliferative activities were evaluated in vitro. The most potent conjugate, A1, displayed selective cytotoxicity against resistant Bel-7402/5-FU cells with an IC50 value of 0...
March 8, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28284095/development-of-2-4-diaminoquinazoline-derivatives-as-potent-pak4-inhibitors-by-the-core-refinement-strategy
#15
Chenzhou Hao, Wanxu Huang, Xiaodong Li, Jing Guo, Meng Chen, Zizheng Yan, Kai Wang, Xiaolin Jiang, Shuai Song, Jian Wang, Dongmei Zhao, Feng Li, Maosheng Cheng
Upon analysis of the reported crystal structure of PAK4 inhibitor KY04031 (PAK4 IC50 = 0.790 μM) in the active site of PAK4, we investigated the possibility of changing the triazine core of KY04031 to a quinazoline. Using KY04031 as a starting compound, a library of 2, 4-diaminoquinazoline derivatives were designed and synthesized. These compounds were evaluated for PAK4 inhibition, leading to the identification of compound 9d (PAK4 IC50 = 0.033 μM). Compound 9d significantly induced the cell cycle in the G1/S phase and inhibited migration and invasion of A549 cells that over-express PAK4 via regulation of the PAK4-LIMK1 signalling pathway...
March 8, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28329729/prodrugs-of-triterpenoids-and-their-derivatives
#16
REVIEW
Meng Zhou, Rong-Hong Zhang, Min Wang, Guo-Bo Xu, Shang-Gao Liao
Triterpenoids are structurally diverse organic compounds that exist widely as natural products. Triterpenoids and their derivatives possess a wide range of biological effects including hepatoprotective, hypoglycemic, immunomodulatory, anti-inflammatory, anti-oxidant, and antitumor activities. In particular, the lupane-, oleanane-, and ursane-type triterpenes have been reported to exhibit pharmacological effects without prominent toxicity even at higher concentrations. Whereas, the poor drug-like properties (e...
March 6, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28288320/therapeutic-potentials-of-baicalin-and-its-aglycone-baicalein-against-inflammatory-disorders
#17
REVIEW
Biswanath Dinda, Subhajit Dinda, Saikat DasSharma, Rajarshi Banik, Ankita Chakraborty, Manikarna Dinda
The flavonoids, baicalin (5,6-dihydroxy-2-phenyl-4H-1-benzopyran-4-one-7-O-d-β-glucuronic acid) 1 and its aglycone, baicalein 2 are found in edible medicinal plants, Scutellaria baicalensis Georgi and Oroxylum indicum (L.) Kurz in abundant quantities. The antioxidant and anti-inflammatory effects of these flavonoids have been demonstrated in various disease models, including diabetes, cardiovascular diseases, inflammatory bowel diseases, gout and rheumatoid arthritis, asthma, neurodegenerative-, liver- and kidney diseases, encephalomyelitis, and carcinogenesis...
March 6, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28288318/coumarin-sulfonates-new-alkaline-phosphatase-inhibitors-in%C3%A2-vitro-and-in-silico-studies
#18
Uzma Salar, Khalid Mohammed Khan, Jamshed Iqbal, Syeda Abida Ejaz, Abdul Hameed, Mariya Al-Rashida, Shahnaz Perveen, Muhammad Nawaz Tahir
A library of coumarin derived sulfonyl esters (1-38) was synthesized by reacting various hydroxy coumarins with different alkyl and aryl sulfonyl chlorides. All compounds were evaluated for their potential to inhibit alkaline phosphatases (hTNAP and hIAP). Most of the compounds were found to be inhibitors of APs. Compound 20 was found to be the most active hIAP inhibitor (IC50 = 1.11 ± 0.15 μM), whereas, compound 13 was found to be the most active hTNAP inhibitor (IC50 = 0.58 ± 0.17 μM). Detailed structure activity relationship studies (SAR), and molecular docking studies were carried out to identify structural elements necessary for AP inhibition, in addition to rationalize most probable binding site interaction of the inhibitors with the AP enzymes...
March 6, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28286211/synthesis-screening-and-docking-of-fused-pyrano-3-2-d-pyrimidine-derivatives-as-xanthine-oxidase-inhibitor
#19
Manroopraj Kaur, Amandeep Kaur, Suhani Mankotia, Harbinder Singh, Arshdeep Singh, Jatinder Vir Singh, Manish Kumar Gupta, Sahil Sharma, Kunal Nepali, Preet Mohinder Singh Bedi
In view of developing effective xanthine oxidase (XO) enzyme inhibitors, a series of 100 pyrano[3,2-d]pyrimidine derivatives was synthesized and evaluated for its in vitro XO enzyme inhibition. Structure activity relationship has also been established. Among all the synthesized compounds, 4d, 8d and 9d were found to be the most potent enzyme inhibitors with IC50 values of 8μM, 8.5μM and 7μM, respectively. Compound 9d was further investigated in enzyme kinetic studies and the Lineweaver-Burk plot revealed that the compound 9d was mixed type inhibitor...
March 4, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28315597/discovery-of-n-3-5-3-acrylamido-4-morpholine-4-carbonyl-phenyl-amino-1-methyl-6-oxo-1-6-dihydropyridin-3-yl-2-methylphenyl-4-tert-butyl-benzamide-chmfl-btk-01-as-a-highly-selective-irreversible-bruton-s-tyrosine-kinase-btk-inhibitor
#20
Qianmao Liang, Yongfei Chen, Kailin Yu, Cheng Chen, Shouxiang Zhang, Aoli Wang, Wei Wang, Hong Wu, Xiaochuan Liu, Beilei Wang, Li Wang, Zhenquan Hu, Wenchao Wang, Tao Ren, Shanchun Zhang, Qingsong Liu, Cai-Hong Yun, Jing Liu
Currently there are several irreversible BTK inhibitors targeting Cys481 residue under preclinical or clinical development. However, most of these inhibitors also targeted other kinases such as BMX, JAK3, and EGFR that bear the highly similar active cysteine residues. Through a structure-based drug design approach, we discovered a highly potent (IC50: 7 nM) irreversible BTK inhibitor compound 9 (CHMFL-BTK-01), which displayed a high selectivity profile in KINOMEscan (S score (35) = 0.00) among 468 kinases/mutants at the concentration of 1 μM...
March 2, 2017: European Journal of Medicinal Chemistry
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