Pyrimidine-based pyrazoles as cyclin-dependent kinase 2 inhibitors: Design, synthesis, and biological evaluation.

abstract：:An effective one-pot synthesis of bis(dihydropyrimidinonoe)benzenes using chlorotrimethylsilane (TMSCl) through Biginelli condensation reaction of terephthalic aldehyde, 1,3-dicarbonyl compounds and (thio)urea or guanidine under microwave irradiation conditions is described. Excellent yields of the products and simple...

journal_title：Chemical biology & drug design

authors： Azizian J,Mohammadi MK,Firuzi O,Mirza B,Miri R

更新日期：2010-04-01 00:00:00

abstract：:The non-receptor Src tyrosine kinase is known to cooperate with the epidermal growth factor receptor in a mechanism leading to invasion and metastasis of solid tumours. With the purpose of developing agents targeted to both epidermal growth factor receptor and Src or related kinases, we embarked on the design of chime...

journal_title：Chemical biology & drug design

authors： Barchéchath S,Williams C,Saade K,Lauwagie S,Jean-Claude B

更新日期：2009-04-01 00:00:00

abstract：:According to fused two bioactive moieties together by bonds covalently and available as a new single hybrid entity known as pharmacophore hybridization, a total of 10 targeted uridine-oleanolic acid hybrids were synthesized. Most of these hybrids showed excellent proliferation inhibition against tested Hep-G2, A549, B...

journal_title：Chemical biology & drug design

authors： Cheng KG,Su CH,Huang JY,Liu J,Zheng YT,Chen ZF

更新日期：2016-09-01 00:00:00

abstract：:A series of novel C-aryl glucosides with substituents at the 3'-position or cyclization at 3', 4'-positions of the distal aryl ring were designed and synthesized, which might decrease the oxidative metabolism of dapagliflozin. Preliminary evaluation for hypoglycemic effect and the risk of hypoglycemia were carried out...

journal_title：Chemical biology & drug design

authors： Li Z,Wang X,Xu X,Qiu Q,Jiao L,Huang W,Qian H

更新日期：2015-10-01 00:00:00

abstract：:Cancer is the leading cause of mortality in the world. The major therapies for cancer treatment are chemotherapy, surgery, and radiation therapy. All these therapies expensive, toxic and show resistance. The plant-derived compounds are considered safe, cost-effective and target cancer through different pathways. In th...

journal_title：Chemical biology & drug design

authors： Ahmad B,Rehman SU,Azizullah A,Khan MF,Din SRU,Ahmad M,Ali A,Tahir N,Azam N,Gamallat Y,Rahman KU,Ali M,Safi M,Khan I,Qamer S,Oh DH

更新日期：2020-12-20 00:00:00

abstract：:Unprotected S-acylated cysteine isopeptides containing α-, β- or γ-amino acid units have been synthesized, and their conversion to native hexapeptides by S- to the N-terminus ligations involving 17-, 18- and 19-membered cyclic transition states have been demonstrated both experimentally and computationally to be more ...

journal_title：Chemical biology & drug design

authors： Panda SS,El-Nachef C,Bajaj K,Al-Youbi AO,Oliferenko A,Katritzky AR

更新日期：2012-12-01 00:00:00

abstract：:Voltage-gated sodium channel NaV 1.7 serves as an attractive target for chronic pain treatment. Several venom peptides were found to selectively inhibit NaV 1.7 but with intrinsic problems. Among them, Ssm6a, a recently discovered centipede venom peptide, shows the greatest selectivity against NaV 1.7, but dissociates...

journal_title：Chemical biology & drug design

authors： Wang C,Shan B,Wang Q,Xu Q,Zhang H,Lei H

更新日期：2017-06-01 00:00:00

abstract：:Peroxisome-proliferator-activated receptors are a class of nuclear receptors with three subtypes: α, γ and δ. Their main function is regulating gene transcription related to lipid and carbohydrate metabolism. Currently, there are no peroxisome-proliferator-activated receptors δ drugs being marketed. In this work, we s...

journal_title：Chemical biology & drug design

authors： Maltarollo VG,Honório KM

更新日期：2012-10-01 00:00:00

abstract：:Ligand- and target structure-based methods are widely used in virtual screening, but there is currently no methodology available that fully integrates these different approaches. Herein, we provide an overview of various attempts that have been made to combine ligand- and structure-based computational screening method...

journal_title：Chemical biology & drug design

authors： Tan L,Batista J,Bajorath J

更新日期：2010-09-01 00:00:00

abstract：:In this self-docking study, we address the so-called scoring problem. The 'scoring problem' is the inability to unambiguously identify biologically the most relevant pose, when the docking score is the main selection criterion. We use the Molecular Mechanics/Generalized Born Surface Area and ChemPLP scoring functions ...

journal_title：Chemical biology & drug design

authors： Greenidge PA,Lewis RA,Ertl P

更新日期：2016-09-01 00:00:00

abstract：:Governments, academics and industry are beginning to listen to the medical communities call for new anti-bacterials. This special issue brings together diverse review articles on topics from economics and pricing to new discovery methods. ...

journal_title：Chemical biology & drug design

authors： Melander RJ,Selwood DL

更新日期：2015-01-01 00:00:00

abstract：:Artemisinin is a naturally occurring antimalarial agent which has shown potent anticancer activity. In this work, new artemisinin derivatives with the piperazine group were synthesized. The cytotoxic activities of derivatives 5a-5d were evaluated by MTT assay against ten cell lines. The results showed that 5a-5d were ...

journal_title：Chemical biology & drug design

authors： Sun Q,Wang J,Li Y,Zhuang J,Zhang Q,Sun X,Sun D

更新日期：2017-11-01 00:00:00

abstract：:Transient receptor potential melastatin-2 (TRPM2) channel critical for monitoring internal body temperature is implicated in the pathological processes such as neurodegeneration. However, lacking selective and potent TRPM2 inhibitors impedes investigation and validation of the channel as a drug target. To discover nov...

journal_title：Chemical biology & drug design

authors： Luo X,Li M,Zhan K,Yang W,Zhang L,Wang K,Yu P,Zhang L

更新日期：2018-02-01 00:00:00

abstract：:We report the first account of a comparative analysis of the binding affinities of nine FDA-approved drugs against subtype B as well as the South African subtype C HIV PR (C-SA). A standardized protocol was used to generate the inhibitor/C-SA PR complexes with the relative positions of the inhibitors taken from the co...

journal_title：Chemical biology & drug design

authors： Ahmed SM,Kruger HG,Govender T,Maguire GE,Sayed Y,Ibrahim MA,Naicker P,Soliman ME

更新日期：2013-02-01 00:00:00

abstract：:Structure-activity analyses of synthetic disorazole C(1) and eight of its analogs indicate that the presence of a vinyl oxirane moiety or a tetraene sequence is not necessary for potent cytotoxic and antimitotic properties. Using an automated multiparameter fluorescence-based cellular assay to simultaneously probe the...

journal_title：Chemical biology & drug design

authors： Wipf P,Graham TH,Vogt A,Sikorski RP,Ducruet AP,Lazo JS

更新日期：2006-01-01 00:00:00

abstract：:The first example of an inhibitor of the kinase TAK1 that binds in the DFG-out conformation is disclosed. These preliminary studies used kinase-targeted screening and structure-based drug design to create a molecule with dual pharmacological inhibition of p38 and TAK1 that demonstrated significant activity in a cell-b...

journal_title：Chemical biology & drug design

authors： Kilty I,Green MP,Bell AS,Brown DG,Dodd PG,Hewson C,Hughes SJ,Phillips C,Ryckmans T,Smith RT,van Hoorn WP,Cohen P,Jones LH

更新日期：2013-11-01 00:00:00

abstract：:Hyperuricemia (HUA), a disease due to an elevation of body uric acid level and responsible for various diseases such as gout, cardiovascular disorders, and renal failure, is a major ground debate for the medical science these days. Considering the risk factors linked with allopathic drugs for the treatment of this dis...

journal_title：Chemical biology & drug design

authors： Mehmood A,Ishaq M,Zhao L,Safdar B,Rehman AU,Munir M,Raza A,Nadeem M,Iqbal W,Wang C

更新日期：2019-04-01 00:00:00

abstract：:New series of chrysin derivatives (4a-4t) were designed and synthesized by introducing different substituted piperazines at C-7 position. Their inhibitory effects on FabH were evaluated using two Gram-negative bacterial strains, Escherichia coli and Pseudomonas aeruginosa, and two Gram-positive bacterial strains, Baci...

journal_title：Chemical biology & drug design

authors： Li HX,Wang ZC,Qian YM,Yan XQ,Lu YD,Zhu HL

更新日期：2017-01-01 00:00:00

abstract：:In an attempt to search for more potent positive inotropic agents, a series of N-(4,5-dihydro-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl)-2-(substitutedbenzyl-[1,4]diazepan-1-yl)acetamides were synthesized and evaluated for positive inotropic activity by measuring left atrium stroke volume in isolated rabbit heart p...

journal_title：Chemical biology & drug design

authors： Ye BJ,Liu XK,Jiang SM,Cui X,Piao HR

更新日期：2011-01-01 00:00:00

abstract：:In this study, 3D-pharmacophore models of Aurora B kinase inhibitors have been developed by using HipHop and HypoGen modules in Catalyst software package. The best pharmacophore model, Hypo1, which has the highest correlation coefficient (0.9911), consists of one hydrogen-bond acceptor, one hydrogen-bond donor, one hy...

journal_title：Chemical biology & drug design

authors： Wang HY,Li LL,Cao ZX,Luo SD,Wei YQ,Yang SY

更新日期：2009-01-01 00:00:00

abstract：:The emergence of New Delhi metal beta-lactamase (NDM-1)-producing bacteria and their worldwide spread pose great challenges for the treatment of drug-resistant bacterial infections. These bacteria can hydrolyze most β-lactam antibacterials. Unfortunately, there are no clinically useful NDM-1 inhibitors. In the current...

journal_title：Chemical biology & drug design

authors： Shi C,Dong F,Zhao G,Zhu N,Lao X,Zheng H

更新日期：2020-11-01 00:00:00

abstract：:Irritable bowel syndrome (IBS) is a chronic disease characterized by abdominal pain and changes in bowel habits. Patients with IBS comprise a significant portion of attendants at the outpatient clinics. Targeting intestinal opioid receptors was found successful in alleviating pain and diarrhea-two major symptoms of IB...

journal_title：Chemical biology & drug design

authors： Fabisiak A,Sobocińska M,Kamysz E,Fichna J,Zielińska M

更新日期：2018-07-01 00:00:00

abstract：:The novel naphthoquinone adduct 12,13-Dihydro-N-methyl-6,11,13-trioxo-5H-benzo[4,5]cyclohepta[1,2-b]naphthalen-5,12-imine (hereafter called TU100) was synthesized as a potential chemotherapeutic agent. TU100 arrests tissue culture cells in S and G2/M phases of the cell cycle, followed by rapid induction of apoptosis. ...

journal_title：Chemical biology & drug design

authors： Carvajal D,Kennedy S,Boustani A,Lazar M,Nguyen S,DiCesare JC,Sheaff RJ

更新日期：2011-11-01 00:00:00

abstract：:The cytochrome P450 isozyme CYP2D6 binds a large variety of drugs, oxidizing many of them, and plays a crucial role in establishing in vivo drug levels, especially in multidrug regimens. The current study aimed to develop reliable predictive models for estimating the CYP2D6 inhibition properties of drug candidates. Qu...

journal_title：Chemical biology & drug design

authors： Saraceno M,Massarelli I,Imbriani M,James TL,Bianucci AM

更新日期：2011-08-01 00:00:00

abstract：:CXCR4 plays a crucial role as a co-receptor with CCR5 for HIV-1 anchoring to mammalian cell membrane and is implicated in cancer metastasis and inflammation. In the current work, we study the relationship of structure and activity of AMD11070 derivatives and other inhibitors of CXCR4 using HQSAR, docking and molecular...

journal_title：Chemical biology & drug design

authors： Zhang C,Du C,Feng Z,Zhu J,Li Y

更新日期：2015-02-01 00:00:00

abstract：:Utilizing atypical wake-promoting agent modafinil (inactive in both rH(3) and hH(3) binding assays) as a launching pad, a series of sulfinyl- and sulfone-derived H(3) receptor inverse agonists were developed. Brain-permeable compound 27, a potent member of the series displayed excellent selectivity against related fam...

journal_title：Chemical biology & drug design

authors： Dunn D,Raddatz R,Ator MA,Bacon ER,Chatterjee S

更新日期：2013-03-01 00:00:00

abstract：:π-π interactions are common and important noncovalent interactions that contribute to biochemical molecular interactions, but the tools for the convenient 3D visualization of π-π interactions are lacking. We have developed an open-source and easy-to-use tool for the automated identification and display of π-π stacking...

journal_title：Chemical biology & drug design

authors： Liu Y,Ao X,Wang Q,Wang J,Ge H

更新日期：2018-10-01 00:00:00

abstract：:Alyteserin-2a (ILGKLLSTAAGLLSNL.NH2 ) stimulated the rate of insulin release from BRIN-BD11 clonalβ cells at a concentration of 30 nm (p < 0.05) with a response of 296 ± 26% of basal release at 3 μm (p < 0.001). The insulinotropic actions of analogs containing substitutions by l-lysine, d-lysine, or l-tryptophan at si...

journal_title：Chemical biology & drug design

authors： Ojo OO,Abdel-Wahab YH,Flatt PR,Conlon JM

更新日期：2013-08-01 00:00:00

abstract：:GSK3β kinase is a noteworthy target for discovery of the drugs that will be used to treat several diseases. In the effort to identify a new inhibitor lead compound, we utilized thermodynamic integration (TI)-molecular dynamics (MD) simulation and kinase assay to investigate the bindings between GSK3β kinase and five c...

journal_title：Chemical biology & drug design

authors： Hsu CJ,Hsu WC,Lee DJ,Liu AL,Chang CM,Shih HJ,Huang WH,Lee-Chen GJ,Hsieh-Li HM,Lee GC,Sun YC

更新日期：2017-08-01 00:00:00

abstract：:Homocamptothecin is emerging as an important topoisomerase I inhibitor originating in natural product camptothecin. We report the modifications and SAR of homocamptothecin on position C10 to develop potent topoisomerase I inhibitors for anticancer drug discovery. Based on click chemistry, twenty-one 1,2,3-triazole-sub...

journal_title：Chemical biology & drug design

authors： Xu X,Wu Y,Liu W,Sheng C,Yao J,Dong G,Fang K,Li J,Yu Z,Min X,Zhang H,Miao Z,Zhang W

更新日期：2016-09-01 00:00:00