Novel anti-cancer candidates from a combinatorial peptide library.

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：: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：: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：:Tuberculosis is the second leading infectious killer with 9 million new cases in 2009. Extensive use of pathogen's lipid metabolism especially in utilizing the host lipids and virulence highlights the importance of exported lipid-catabolizing enzymes. Current study aims to emphasize the importance of Rv0183, an export...

journal_title：Chemical biology & drug design

authors： Saravanan P,Dubey VK,Patra S

更新日期：2012-06-01 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：:Photodynamic therapy (PDT) uses non-toxic dyes called photosensitizers (PS) and harmless visible light that combine to form highly toxic reactive oxygen species that kill cells. Originally, a cancer therapy, PDT, now includes applications for infections. The most widely studied PS are tetrapyrrole macrocycles includin...

journal_title：Chemical biology & drug design

authors： Martinez De Pinillos Bayona A,Mroz P,Thunshelle C,Hamblin MR

更新日期：2017-02-01 00:00:00

abstract：:Heat shock protein 90 is a valuable target for anticancer drugs because of its role in the activation and stabilization of multiple oncogenic signalling proteins. While several compounds inhibit heat shock protein 90 by binding the N-terminal domain, recent studies have proved that the C-terminal domain is important f...

journal_title：Chemical biology & drug design

authors： Sgobba M,Degliesposti G,Ferrari AM,Rastelli G

更新日期：2008-05-01 00:00:00

abstract：:Recent studies have shown an overexpression of γ-tubulin in human glioblastomas and glioblastoma cell lines. As the 2-year survival rate for glioblastoma is very poor, potential benefit exists for discovering novel chemotherapeutic agents that can inhibit γ-tubulin, which is known to form a ring complex that acts as a...

journal_title：Chemical biology & drug design

authors： Friesen DE,Barakat KH,Semenchenko V,Perez-Pineiro R,Fenske BW,Mane J,Wishart DS,Tuszynski JA

更新日期：2012-05-01 00:00:00

abstract：:We report our three-dimensional quantitative structure activity relationship (3D-QSAR) studies of the series of anilinopyrimidine derivatives of JNK1 inhibitors. The comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) were applied using different alignment method...

journal_title：Chemical biology & drug design

authors： Madhavan T,Chung JY,Kothandan G,Gadhe CG,Cho SJ

更新日期：2012-01-01 00:00:00

abstract：:Six lycorine derivatives were prepared, characterized, and evaluated for their in vitro anti-Trichomonas vaginalis activity. Compounds bearing an acetyl (2), lauroyl (3), benzoyl (4 and 5), and p-nitrobenzoyl (6 and 7) groups were synthesized. The best activity was achieved with lycorine esterified at C-2 position wit...

journal_title：Chemical biology & drug design

authors： Giordani RB,Junior CO,de Andrade JP,Bastida J,Zuanazzi JA,Tasca T,de Almeida MV

更新日期：2012-07-01 00:00:00

abstract：:Quantum dots (QD) are being evaluated as inorganic nanoparticles for both in vitro and in vivo optical imaging. They are also used as sensors or vehicles for targeted drug delivery combined with optical imaging. In this study, we demonstrated that glutathione-coated Ag2 S QDs (GSH-Ag2 S QDs) act as a substrate analogu...

journal_title：Chemical biology & drug design

authors： Aydemir D,Hashemkhani M,Acar HY,Ulusu NN

更新日期：2019-12-01 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：: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 this study, arginine vasopressin analogues modified with proline derivatives - indoline-2-carboxylic acid (Ica), (2S,4R)-4-(naphthalene-2-ylmethyl)pyrrolidine-2-carboxylic acid (Nmp), (2S,4S)-4-aminopyroglutamic acid (APy) and (2R,4S)-4-aminopyroglutamic acid, (Apy) - were examined using NMR spectroscopy and molecu...

journal_title：Chemical biology & drug design

authors： Sikorska E,Sobolewski D,Kwiatkowska A

更新日期：2012-04-01 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：: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：: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：:Follicle-stimulating hormone is important for mammalian reproduction. It acts through specific receptors located on the plasma membrane of granulosa cells in ovaries and Sertoli cells in testes. The binding of follicle-stimulating hormone to its receptor activates intracytoplasmic signaling pathways leading to steroid...

journal_title：Chemical biology & drug design

authors： Navalakhe RM,Jagtap DD,Nayak SU,Nandedkar TD,Mahale SD

更新日期：2013-08-01 00:00:00

abstract：:A series of compounds similar to Pracinostat that contained benzimidazole ring and N-hydroxyacrylamide attached at 5- or 6-position were designed, synthesized, and evaluated as HDAC inhibitors. It was interesting to find that the corresponding derivative 1 with N-hydroxyacrylamide attached at 5-position was a potent H...

journal_title：Chemical biology & drug design

authors： Jia R,Sun P,Zhang Y,Ge Y,Yu N

更新日期：2019-08-01 00:00:00

abstract：:HIV-1 integrase enzyme plays an important role in the life cycle of HIV and responsible for integration of virus into human genome. Here, both computational and synthetic approaches were used to design and synthesize newer HIV-1 integrase inhibitors. Pharmacophore mapping was performed on 20 chemically diverse molecul...

journal_title：Chemical biology & drug design

authors： Bhatt H,Patel P,Pannecouque C

更新日期：2014-02-01 00:00:00

abstract：:A novel series of quinolone imidazoles as new type of antimicrobial agents were synthesized. Most compounds exhibited good bioactivities especially against MRSA even superior to reference drugs. They induced bacterial resistance more slowly than clinical drugs and gave low cytotoxicity to human cells. The pKa values o...

journal_title：Chemical biology & drug design

authors： Zhang L,Kumar KV,Rasheed S,Geng RX,Zhou CH

更新日期：2015-10-01 00:00:00

abstract：:Anthranilic diamides is a class of insecticides target at ryanodine receptors (RyRs). To discover potent insecticides targeting at RyRs, a series of novel anthranilic diamides with a diacylhydrazine bridge were designed and synthesized. Their insecticidal activities were evaluated and a preliminary structure-activity ...

journal_title：Chemical biology & drug design

authors： Zhou Y,Wei W,Zhu L,Li Y,Li Z

更新日期：2018-11-01 00:00:00

abstract：:Selective blockade of the serotonin 5-HT(2A) receptor is a useful therapeutic approach for a number of disorders, including schizophrenia, insomnia and ischaemic heart disease. A series of aporphines were docked into a homology model of the rat 5-HT(2A) receptor using AutoDock. Selected compounds with high in silico b...

journal_title：Chemical biology & drug design

authors： Munusamy V,Yap BK,Buckle MJ,Doughty SW,Chung LY

更新日期：2013-02-01 00:00:00

abstract：:Phenol and its congeners are known to induce caspase-mediated apoptosis activity and cytotoxicity on various cancer cell lines. Apoptosis, scavenging of radicals, antioxidant, and pro-oxidant characteristics are primarily responsible for the antitumor activities of phenolic compounds. Quantitative structure-activity r...

journal_title：Chemical biology & drug design

authors： Nandi S,Vracko M,Bagchi MC

更新日期：2007-11-01 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：: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：:We previously designed and reported a novel class of drugs, namely hybrid peptides, which are chemically synthesized and composed of a targeted binding peptide and a lytic-type peptide containing cationic amino acid residues that cause cancer cell death. In the present study, we screened for peptides that bind to inte...

journal_title：Chemical biology & drug design

authors： Kurihara R,Horibe T,Shimizu E,Torisawa A,Gaowa A,Kohno M,Kawakami K

更新日期：2019-07-01 00:00:00

abstract：:Human serum albumin (HSA) is the most abundant protein in plasma, which plays a central role in drug pharmacokinetics because most compounds bound to HSA in blood circulation. To understand binding characterization of non-steroidal anti-inflammatory drugs to HSA, we resolved the structure of diclofenac and HSA complex...

journal_title：Chemical biology & drug design

authors： Zhang Y,Lee P,Liang S,Zhou Z,Wu X,Yang F,Liang H

更新日期：2015-11-01 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：:Ketol-acid reductoisomerase (KARI; EC 1.1.1.86) catalyzes the second common step in branched-chain amino acid biosynthesis. This enzyme is an important target for drug design. Based on the crystal structure of ketol-acid reductoisomerase/N-hydroxy-N-isopropyloxamate (IpOHA) complex, we have carried out high throughput...

journal_title：Chemical biology & drug design

authors： Liu XH,Chen PQ,Wang BL,Dong WL,Li YH,Xie XQ,Li ZM

更新日期：2010-02-01 00:00:00