Effects of slow, sustained, and rate-tunable nitric oxide donors on human aortic smooth muscle cells proliferation.

abstract：:A series of novel naphthalimide derivatives with 4-[4-(3,3-diphenylallyl)piperazin-1-yl]benzoic acid as side chain were designed and synthesized. Their antitumor activities were evaluated against a variety of cancer cell lines in vitro. Preliminary results showed that most of the derivatives had cytotoxic activity com...

journal_title：Chemical biology & drug design

authors： Wu A,Mei P,Xu Y,Qian X

更新日期：2011-12-01 00:00:00

abstract：:A series of new 1-phenylsulphonyl-2-(1-methylindol-3-yl)-benzimidazole derivatives were designed, synthesized and evaluated as potential inhibitors of tubulin polymerization and anthropic cancer cell lines. Among them, compound 33 displayed the most potent tubulin polymerization inhibitory activity in vitro (IC50  = 1...

journal_title：Chemical biology & drug design

authors： Wang YT,Cai XC,Shi TQ,Zhang YL,Wang ZC,Liu CH,Zhu HL

更新日期：2017-07-01 00:00:00

abstract：:Aquaporins (AQPs) are a family of membrane proteins that function as channels facilitating water transport in response to osmotic gradients. These play critical roles in several normal physiological and pathological states and are targets for drug discovery. Selective inhibition of the AQP1 water channel may provide a...

journal_title：Chemical biology & drug design

authors： Patil RV,Xu S,van Hoek AN,Rusinko A,Feng Z,May J,Hellberg M,Sharif NA,Wax MB,Irigoyen M,Carr G,Brittain T,Brown P,Colbert D,Kumari S,Varadaraj K,Mitra AK

更新日期：2016-05-01 00:00:00

abstract：:Activity cliffs are formed by structurally similar compounds having large potency differences. Their study is a focal point of SAR analysis. We present a first systematic survey of single- and multitarget activity cliffs contained in currently available bioactive compounds. Approximately 12% of all active compounds we...

journal_title：Chemical biology & drug design

authors： Wassermann AM,Dimova D,Bajorath J

更新日期：2011-08-01 00:00:00

abstract：:Previous reports describe modulators of X-linked inhibitor of apoptosis (XIAP)-caspase interaction designed from the AVPI N-terminal peptide sequence of second mitochondria-derived activator of caspase. A fragment-based drug design strategy was initiated to identify therapeutic non-peptidomimetic antagonists of X-link...

journal_title：Chemical biology & drug design

authors： Moore CD,Wu H,Bolaños B,Bergqvist S,Brooun A,Pauly T,Nowlin D

更新日期：2009-09-01 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：:In this study, we searched for potential DNA GyrB inhibitors using pharmacophore-based virtual screening followed by molecular docking and molecular dynamics simulation approaches. For this purpose, a set of 248 DNA GyrB inhibitors was collected from the literature and a well-validated pharmacophore model was generate...

journal_title：Chemical biology & drug design

authors： Islam MA,Pillay TS

更新日期：2017-08-01 00:00:00

abstract：:Experimental evidence suggests that hERG and hEAG potassium channels may serve as important cancer therapy targets because either of the channel blockade or inactivation by different methods leads to inhibition of cancer cells growth and proliferation. However, there is no known hEAG specific blocker, and hERG blockad...

journal_title：Chemical biology & drug design

authors： Șterbuleac D,Maniu CL

更新日期：2016-11-01 00:00:00

abstract：:During the past century, several epidemics of human African trypanosomiasis, a deadly disease caused by the protist Trypanosoma brucei, have afflicted sub-Saharan Africa. Over 10 000 new victims are reported each year, with hundreds of thousands more at risk. As current drug treatments are either highly toxic or ineff...

journal_title：Chemical biology & drug design

authors： Friedman AJ,Durrant JD,Pierce LC,McCorvie TJ,Timson DJ,McCammon JA

更新日期：2012-08-01 00:00:00

abstract：:Src Homology 2 (SH2) domains are approximately 100 amino acid domains that mediate recognition of tyrosine-phosphorylated sites by signalling proteins. Structures of SH2 domains with bound ligands indicate a potentially important role of water in influencing the binding thermodynamics. In this study, we used molecular...

journal_title：Chemical biology & drug design

authors： Geroult S,Hooda M,Virdee S,Waksman G

更新日期：2007-08-01 00:00:00

abstract：:Chemotherapy against human African trypanosomiasis relies on four drugs that cause frequent and occasionally severe side-effects. Because human African trypanosomiasis is a disease of poor people in Africa, the traditional market-driven pathways to drug development are not available. One potentially rapid and cost-eff...

journal_title：Chemical biology & drug design

authors： Mackey ZB,Baca AM,Mallari JP,Apsel B,Shelat A,Hansell EJ,Chiang PK,Wolff B,Guy KR,Williams J,McKerrow JH

更新日期：2006-05-01 00:00:00

abstract：:During SAR development of previously reported pyrrolocarbazole 1, a potent PARP-1 inhibitor, compound 14, was discovered serendipitously to be a prodrug of compound 1. ...

journal_title：Chemical biology & drug design

authors： Dunn D,Husten J,Aimone LD,Ator MA,Chatterjee S

更新日期：2013-09-01 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：:A large number of chemotherapeutic drugs, utilized in the treatment of advanced metastatic clear cell renal cell carcinoma, are typically prone to poor biocompatibility, lack of targeting specificity, and high toxicity, which mostly leads to unsatisfactory clinical outcomes. As a new drug delivery pathway, nanoliposom...

journal_title：Chemical biology & drug design

authors： Lei Y,Zeng L,Xie S,Fan K,Yu Y,Chen J,Zhang S,Wang Z,Zhong L

更新日期：2020-03-01 00:00:00

abstract：:Asn-Gly-Arg peptides have been designed as vehicles for the delivery of chemotherapeutics, magnetic resonance imaging contrast agents, and fluorescence labels to tumor cells, and cardiac angiogenic tissue. Specificity is derived via an interaction with aminopeptidase N, also known as CD13, a cell surface receptor that...

journal_title：Chemical biology & drug design

authors： Plesniak LA,Salzameda B,Hinderberger H,Regan E,Kahn J,Mills SA,Teriete P,Yao Y,Jennings P,Marassi F,Adams JA

更新日期：2010-06-01 00:00:00

abstract：:Human DNA methyltransferase1 (hDNMT1) is responsible for preserving DNA methylation patterns that play important regulatory roles in differentiation and development. Misregulation of DNA methylation has thus been linked to many syndromes, life style diseases, and cancers. Developing specific inhibitors of hDNMT1 is an...

journal_title：Chemical biology & drug design

authors： Joshi M,Rajpathak SN,Narwade SC,Deobagkar D

更新日期：2016-07-01 00:00:00

abstract：:PCSK9, a member of the proprotein convertase family, is a key negative regulator of hepatic low-density lipoprotein receptor (LDLR) concentrations in the blood plasma and is associated with the risk of coronary artery disease (CAD). Peptide inhibitors designed to block PCSK9-LDLR interactions could reduce the risk of ...

journal_title：Chemical biology & drug design

authors： Pasam B,Medicherla KM,Rathore RS,Upadhyayula RS

更新日期：2019-12-01 00:00:00

abstract：:Retrospective virtual screening experiments were carried out to investigate the effects of combining hit lists from different crystal structures of the same target using consensus scoring. An in-house High Throughput Screening (HTS) dataset from PI3K-γ was used and docked against five diverse PI3K-γ crystal structures...

journal_title：Chemical biology & drug design

authors： Brooijmans N,Humblet C

更新日期：2010-12-01 00:00:00

abstract：:Polyazamacrocycles are currently being studied and used in a variety of applications beyond their traditional place in supramolecular and co-ordination chemistry. This study suggests additional applications of these compounds with particular emphasis on their use as antiproliferative agents that could be potentially u...

journal_title：Chemical biology & drug design

authors： Cruz C,Cairrão E,Lourenço O,Almeida P,Verde I,Queiroz JA

更新日期：2013-04-01 00:00:00

abstract：:Phosphodiesterase type 5 (PDE-5) is an important enzyme involved in the hydrolysis of cyclic guanosine monophosphate (cGMP) to guanosine monophosphate (GMP). The inhibition of this protein leads to the accumulation of cGMP in cells with various biological and therapeutic effects. Several PDE-5 inhibitors exist, with T...

journal_title：Chemical biology & drug design

authors： Pires de Oliveira I,Lescano CH,De Nucci G

更新日期：2019-04-01 00:00:00

abstract：:The new series of asymmetrical pyrazole curcumin analogues 4a-g were synthesized by using polyethylene glycol (PEG-400) as a green reaction medium and evaluated for their in vivo analgesic and in vitro antioxidant (H2 O2 , DPPH, Ferrous reducing power and Nitric oxide scavenging activity) and anti-inflammatory activit...

journal_title：Chemical biology & drug design

authors： Jadhav SY,Bhosale RB,Shirame SP,Patil SB,Kulkarni SD

更新日期：2015-03-01 00:00:00

abstract：:A new series of indole appended dihydronaphthalenone hybrid analogs (5a-t) have been synthesized through the Lewis acid catalyzed Michael addition of indoles to the arylidene/hetero arylidene ketones. All the synthesized derivatives are well characterized through the 1 H-NMR, 13 C-NMR, HRMS spectroscopic techniques, c...

journal_title：Chemical biology & drug design

authors： V PK,J R,C T FS,K T A,S Keri R,Varughese S,Balappa Somappa S

更新日期：2017-11-01 00:00:00

abstract：:Focal adhesion kinase (FAK) is a non-receptor tyrosine kinase located at the extracellular matrix cell adhesion site. This kinase mediates downstream signalling cascades on the cell-extracellular matrix of integrins, cytokine receptors, growth factor receptors and G-protein-coupled receptors. Several studies have sugg...

journal_title：Chemical biology & drug design

authors： Chauhan A,Khan T

更新日期：2020-11-15 00:00:00

abstract：:Physicochemical n-Grams Tool (PnGT) is an open-source standalone software for calculating physicochemical descriptors of protein. PnGT was developed using the Python scripting language and developed the user interface using Tkinter. The software currently calculates 33 physicochemical descriptors along with the sequen...

journal_title：Chemical biology & drug design

authors： Vishnoi S,Garg P,Arora P

更新日期：2020-01-01 00:00:00

abstract：:Non-secosteroidal ligands are well-known vitamin D receptor (VDR) agonists. In this study, we described a combined QM/MM to define the protein-ligand interaction energy a strong positive correlation in both QM-MM interaction energy and binding free energy against the biological activity. The molecular dynamics simulat...

journal_title：Chemical biology & drug design

authors： Selvaraman N,Selvam SK,Muthusamy K

更新日期：2016-08-01 00:00:00

abstract：:Electron transport and respiratory pathways are active in both latent and rapidly growing mycobacteria and remain conserved in all mycobacterial species. In mycobacteria, menaquinone is the sole electron carrier responsible for electron transport. Menaquinone biosynthesis pathway is found to be essential for the growt...

journal_title：Chemical biology & drug design

authors： Mathew R,Kruthiventi AK,Prasad JV,Kumar SP,Srinu G,Chatterji D

更新日期：2010-07-01 00:00:00

abstract：:A novel series of thiophene-containing biaryl amide glucagon receptor (GCGR) antagonists were designed and synthesized. Two compounds of this series, 14f and 14h, exhibited good GCGR binding (IC50  = 6.1 and 4.4 μm, respectively) and cAMP functional activities (IC50  = 4.4 and 14.4 μm, respectively). The possible bind...

journal_title：Chemical biology & drug design

authors： Li J,Feng Y,Li H,Shu S,Dai A,Cai X,Wang J,Yang D,Ma D,Wang MW,Liu H

更新日期：2018-07-01 00:00:00

abstract：:α-Glucosidase is known to catalyze the digestion of carbohydrates and release free glucose into the digestive tract. Protein tyrosine phosphatase 1B (PTP1B) is engaged in the dephosphorylation of the insulin receptor and regulation of insulin sensitivity. Therefore, dual antagonists by targeting both α-glucosidase and...

journal_title：Chemical biology & drug design

authors： Wang MY,Cheng XC,Chen XB,Li Y,Zang LL,Duan YQ,Chen MZ,Yu P,Sun H,Wang RL

更新日期：2018-09-01 00:00:00

abstract：:Ginsenoside compound K (M1) is the active form of major ginsenosides deglycosylated by intestinal bacteria after oral administration. However, M1 was reported to selectively accumulate in liver and transform to fatty acid esters. Ester of M1 was not excreted by bile as M1 was, which means it was accumulated in the liv...

journal_title：Chemical biology & drug design

authors： Hou J,Xue J,Zhao X,Wang Z,Li W,Li X,Zheng Y

更新日期：2018-04-01 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