Focal adhesion kinase-An emerging viable target in cancer and development of focal adhesion kinase inhibitors.

abstract：:A low-dimensional method, based on the use of multiple fusion-based similarity measures, is described for graphically depicting and characterizing relationships among molecules in compound databases. The measures are used to construct multi-fusion similarity maps that characterize the relationship of a set of 'test' m...

journal_title：Chemical biology & drug design

authors： Medina-Franco JL,Maggiora GM,Giulianotti MA,Pinilla C,Houghten RA

更新日期：2007-11-01 00:00:00

abstract：:Biofilm formation is one of the many mechanisms bacteria utilize to survive antibiotic treatment. It has been demonstrated that when Mycobacterium tuberculosis exists in a biofilm in vitro, it expresses phenotypic resistance to antimicrobial drugs. As the in vivo survival of M. tuberculosis following drug treatment is...

journal_title：Chemical biology & drug design

authors： Martin SE,Nguyen CM,Basaraba RJ,Melander C

更新日期：2018-08-01 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：:Reactive oxygen species are crucial to normal cell function, but are also part of the pathogenesis of multiple modern maladies. As such, sensitive, fast, and reliable methods of appreciating redox status are needed. We aimed to optimize the Amplex Red (AR) and ferric-xylenol orange (FOX) methods using human serum samp...

journal_title：Chemical biology & drug design

authors： Ungurianu A,Șeremet O,Grădinaru D,Ionescu-Tîrgoviște C,Margină D,Dănciulescu Miulescu R

更新日期：2019-06-01 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：:Finding pharmaceutically relevant target conformations from an arbitrary set of protein conformations remains a challenge in structure-based virtual screening (SBVS). The growth in the number of available conformations, either experimentally determined or computationally derived, obscures the situation further. While ...

journal_title：Chemical biology & drug design

authors： Akbar R,Jusoh SA,Amaro RE,Helms V

更新日期：2017-05-01 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：:Relationships between ligand binding and the shapes of the binding sites in families of homologous enzymes are investigated by comparing matrices of distances between key binding site atoms. Multiple linear regression is used to help identify key distances that influence ligand binding affinity. In order to illustrate...

journal_title：Chemical biology & drug design

authors： Tanramluk D,Schreyer A,Pitt WR,Blundell TL

更新日期：2009-07-01 00:00:00

abstract：:The ability of Archaea to adapt their membrane lipid compositions to extreme environments has brought in archaeosomes into consideration for the development of drug delivery systems overcoming the physical, biological blockades that the body exhibits against drug therapies. In this study, we prepared unilamellar archa...

journal_title：Chemical biology & drug design

authors： Attar A,Bakir C,Yuce-Dursun B,Demir S,Cakmakci E,Danis O,Birbir M,Ogan A

更新日期：2018-01-01 00:00:00

abstract：:One pharmacophore model and three quantitative structure-activity relationship models were developed on a series of benzimidazole and imidazole inhibitors of histone deacetylase 2. The goodness of hit score value of the best pharmacophore model was 0.756, which indicated that it is reliable to be used for virtual scre...

journal_title：Chemical biology & drug design

authors： Xiang Y,Hou Z,Zhang Z

更新日期：2012-05-01 00:00:00

abstract：:Using a minimalist approach, an 11-residue peptide (Peptide 1) tagged with rhodamine fluorophore was designed and synthesized for selective detection of cancer cells. Peptide 1 contains RGD and NGR motifs to bind, respectively, integrins and aminopeptidase CD13, which are over expressed in cancer cells. Surface tensio...

journal_title：Chemical biology & drug design

authors： Rajavenkatesh K,Padmaja M,Janani I,Aishwarya S,Purna Sai K,Thennarasu S

更新日期：2020-06-01 00:00:00

abstract：:Tuberculosis is the deadliest infectious disease affecting humankind with a death toll of approximately 1.7 million people in 2016. The increasing prevalence of multidrug-resistant strains of the causative pathogen, Mycobacterium tuberculosis (Mtb) which results in reduced effectiveness of the current therapies, under...

journal_title：Chemical biology & drug design

authors： Cilliers P,Seldon R,Smit FJ,Aucamp J,Jordaan A,Warner DF,N'Da DD

更新日期：2019-08-01 00:00:00

abstract：:In the past decade, the discovery, synthesis, and evaluation for hundreds of CD38 covalent and non-covalent inhibitors has been reported sequentially by our group and partners; however, a systematic structure-based guidance is still lacking for rational design of CD38 inhibitor. Here, we carried out a comparative anal...

journal_title：Chemical biology & drug design

authors： Zhang S,Xue X,Zhang L,Zhang L,Liu Z

更新日期：2015-12-01 00:00:00

abstract：:Oxazines have brought much synthetic interest due to their extensive biological activities. These are the important category of heterocycles, which may be formally derived from benzene and its reduction products by convenient substitution of carbon (and hydrogen) atoms by nitrogen and oxygen. In the last few decades, ...

journal_title：Chemical biology & drug design

authors： Zinad DS,Mahal A,Mohapatra RK,Sarangi AK,Pratama MRF

更新日期：2020-01-01 00:00:00

abstract：:Protein flexibility plays a major role in biomolecular recognition. In many cases, it is not obvious how molecular structure will change upon association with other molecules. In proteins, these changes can be major, with large deviations in overall backbone structure, or they can be more subtle as in a side-chain rot...

journal_title：Chemical biology & drug design

authors： Sinko W,Lindert S,McCammon JA

更新日期：2013-01-01 00:00:00

abstract：:Seventeen novel emodin derivatives were synthesized, and the structures were confirmed by IR, H NMR, MS, and elemental analysis. The cytotoxic activity of the derivatives was evaluated against A375, BGC-823, HepG2, and HELF cells by MTT assay. Compound 9a with highest potency and low toxicity was selected to further i...

journal_title：Chemical biology & drug design

authors： Yang X,Zhao W,Hu X,Hao X,Hong F,Wang J,Xiang L,Zhu Y,Yuan Y,Ho RJ,Wang W,Shao J

更新日期：2015-12-01 00:00:00

abstract：:Interstitial cystitis/painful bladder syndrome is a chronic bladder disorder with epithelial thinning or ulceration, pain, urinary frequency and urgency, for which there is no reliably effective therapy. We previously reported that interstitial cystitis/painful bladder syndrome bladder epithelial cells make a glycopep...

journal_title：Chemical biology & drug design

authors： Keay S,Kaczmarek P,Zhang CO,Koch K,Szekely Z,Barchi JJ Jr,Michejda C

更新日期：2011-06-01 00:00:00

abstract：:EGFR is a well-established therapeutic target of clinical relevance in cancer. However, acquisition of secondary mutation (T790M) makes first-generation inhibitors ineffective. Therefore, to circumvent the problem of resistance, new T790M/L858R (TMLR) double mutant inhibitors are required. In this study, fragment-base...

journal_title：Chemical biology & drug design

authors： Fatima S,Pal D,Agarwal SM

更新日期：2019-07-01 00:00:00

abstract：:Malaria, mainly caused by Plasmodium falciparum and Plasmodium vivax, has been a growing cause of morbidity and mortality. P. falciparum is more lethal than is P. vivax, but there is a vital need for effective drugs against both species. Geranylgeranyl diphosphate synthase (GGPPS) is an enzyme involved in the biosynth...

journal_title：Chemical biology & drug design

authors： Venkatramani A,Gravina Ricci C,Oldfield E,McCammon JA

更新日期：2018-06-01 00:00:00

abstract：:Specific assembly of ribonucleoprotein complexes is essential in controlling various cellular functions including gene regulation. Diverse scaffolds containing proteins or nucleic acids could play key roles in stabilizing specific ribonucleoprotein complexes by enhancing protein-protein or RNA-protein interactions. On...

journal_title：Chemical biology & drug design

authors： Chiu YL,Cao H,Rana TM

更新日期：2007-04-01 00:00:00

abstract：:The erythropoietin-producing hepatocellular carcinoma receptor B4 is a receptor tyrosine kinase whose expression is preserved in various malignancies, including colon, gastric, and breast carcinoma. Hepatocellular carcinoma receptor B4 presence in tumor cells and involvement in cancer suppression makes it a potential ...

journal_title：Chemical biology & drug design

authors： Kamstra RL,Freywald A,Floriano WB

更新日期：2015-10-01 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：: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：:Screening combinatorial libraries of conformationally constrained peptides against macromolecular targets is utilized in identifying novel drug leads and in developing new reagents for chemical biology. In methods such as phage-display selections, biotinylated macromolecular targets are often immobilized on avidin- an...

journal_title：Chemical biology & drug design

authors： Meyer SC,Gaj T,Ghosh I

更新日期：2006-07-01 00:00:00

abstract：:New imines, derived from aromatic aldehyde, chalcones and 5-amino-1,3,4-thiadiazole-2-thiol exhibited promising anti-convulsant activity which is explained through chemo-biological interactions at receptor site producing the inhibition of human Carbonic Anhydrase-II enzyme (hCA-II) through the proposed pharmacophore m...

journal_title：Chemical biology & drug design

authors： Yusuf M,Khan RA,Khan M,Ahmed B

更新日期：2013-05-01 00:00:00

abstract：:A new propeller-like small molecule was synthesized with three terminal amino side groups. The molecule was found to be a selective nucleic acid binder towards telo21 G-quadruplex DNA compared with other representative nucleic acids including single-stranded DNA (dA21), duplex DNA (ds26) and RNA. The fluorescent signa...

journal_title：Chemical biology & drug design

authors： Sun N,Li D,Hou J,Long W,Guo Q,Lu Y,Zhang K,Yuan W,Wong WL

更新日期：2019-06-01 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：:Because of their poor metabolic stability and limited blood-brain barrier permeability, endomorphins have a low analgesic efficacy when administered systemically. Therefore, it is of great importance to design analogues with improved peptidase resistance and better delivery to the central nervous system. Recently, nov...

journal_title：Chemical biology & drug design

authors： Mallareddy JR,Tóth G,Fazakas C,Molnár J,Nagyőszi P,Lipkowski AW,Krizbai IA,Wilhelm I

更新日期：2012-04-01 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：: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