Minor structural modifications to Pracinostat produce big changes in its biological responses.

abstract：:Micro-organism resistance is an important challenge in modern medicine due to the global uncontrolled use of antibiotics. Natural and synthetic antimicrobial peptides (AMPs) symbolize a new family of antibiotics, which have stimulated research and clinical interest as new therapeutic options for infections. They repre...

journal_title：Chemical biology & drug design

authors： Piotrowska U,Sobczak M,Oledzka E

更新日期：2017-12-01 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：: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：:Quinacrine-the drug based on 9-aminoacridine-failed in clinical trials for prion diseases, whereas it was active in in vitro studies. We hypothesize that aromatic nucleophilic substitution at C9 could be contributing factor responsible for this failure because of the transfer of acridine moiety from quinacrine to abun...

journal_title：Chemical biology & drug design

authors： Šafařík M,Moško T,Zawada Z,Šafaříková E,Dračínský M,Holada K,Šebestík J

更新日期：2017-06-01 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：:The screening of an in-house quinolones library against Mycobacterium tuberculosis (Mtb) H(37) Rv, followed by a first cycle of optimization, yielded 6-hydrogen-8-methyl derivatives endowed with good potency. The antitubercular activity also encompassed the bacteria in a non-replicating state (NRP-TB) with minimum inh...

journal_title：Chemical biology & drug design

authors： Tabarrini O,Sabatini S,Massari S,Pieroni M,Franzblau SG,Cecchetti V

更新日期：2012-11-01 00:00:00

abstract：:A series of non-sulfonamide/non-sulfone derived potent 5-HT6 receptor inverse agonists has been disclosed. Representative compound 9 (Ki  = 14 nm) displayed selectivity against a set of family members as well as brain permeability 6 h post-oral administration. In addition, the separated enantiomers of compound 9 displ...

journal_title：Chemical biology & drug design

authors： Hostetler G,Dunn D,McKenna BA,Kopec K,Chatterjee S

更新日期：2014-06-01 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：:Developing selective enzyme inhibitors allows for the expansion of molecular toolboxes to investigate functions and activities of target enzymes. The histone acetyltransferase 1 (HAT1) is among the first histone acetyltransferase (HAT) enzymes that were discovered in the mid-1990s; however, it remains one of the poorl...

journal_title：Chemical biology & drug design

authors： Ngo L,Brown T,Zheng YG

更新日期：2019-05-01 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：: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：: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：:High-throughput screening is utilized by pharmaceutical researchers and, increasingly, academic investigators to identify agents that act upon enzymes, receptors, and cellular processes. Screening hits include molecules that specifically bind the target and a greater number of non-specific compounds. It is necessary t...

journal_title：Chemical biology & drug design

authors： Miller JR,Thanabal V,Melnick MM,Lall M,Donovan C,Sarver RW,Lee DY,Ohren J,Emerson D

更新日期：2010-05-01 00:00:00

abstract：:The unfolded protein response (UPR) is a coordinated program that promotes cell survival under conditions of endoplasmic reticulum stress and is required in tumor progression as well. To date, no specific small molecule inhibitor targeting this pathway has been identified. Pancreatic endoplasmic reticulum kinase (PERK...

journal_title：Chemical biology & drug design

authors： Wang H,Blais J,Ron D,Cardozo T

更新日期：2010-12-01 00:00:00

abstract：:A series of N-aryl-2-arylthioacetamide derivatives (2-4) designed as non-nucleoside reverse transcriptase inhibitors was synthesized and evaluated for their inhibitory activity against HIV-1 (IIIB) replication in MT-4 cell cultures. The compounds 2-4 were performed by the reaction of thiols and 2-chloro-N-substituted-...

journal_title：Chemical biology & drug design

authors： Xiaohe Z,Yu Q,Hong Y,Xiuqing S,Rugang Z

更新日期：2010-10-01 00:00:00

abstract：:Poria cocos is an edible and medicinal fungus that is widely used in Traditional Chinese Medicines as well as in modern applications. Retinoid X receptor (RXR) occupies a central place in nuclear receptor signaling, and a pharmacological RXR-dependent pathway is involved in myeloid cell function. Here, structural info...

journal_title：Chemical biology & drug design

authors： Xu H,Wang Y,Zhao J,Jurutka PW,Huang D,Liu L,Zhang L,Wang S,Chen Y,Cheng S

更新日期：2020-05-01 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：:Bacterial resistance to most of the available antibiotics has stimulated the discovery of novel efficacious antibacterial agents. Bedaquiline is first of its type that has been specifically introduced for the management of MDR-TB in combination with other drugs. In this study, a series of isoniazid/ethambutol/pyrazina...

journal_title：Chemical biology & drug design

authors： Li L,Jin Y,Wang B,Yang Z,Liu M,Guo H,Zhang J,Lu Y

更新日期：2018-03-01 00:00:00

abstract：:Toll-like receptor 8 agonists, which activate adaptive immune responses by inducing robust production of T-helper 1-polarizing cytokines, are promising candidates for vaccine adjuvants. As the binding site of toll-like receptor 8 is large and highly flexible, virtual screening by individual method has inevitable limit...

journal_title：Chemical biology & drug design

authors： Pei F,Jin H,Zhou X,Xia J,Sun L,Liu Z,Zhang L

更新日期：2015-11-01 00:00:00

abstract：:Free fatty acid receptor 2 (FFA2), also known as GPR43, is activated by short-chain fatty acids (SCFAs) that are mainly produced by the gut microbiota through the fermentation of undigested carbohydrates and dietary fibers. FFA2 currently appears to be a potential target in the management of obesity, diabetes, inflamm...

journal_title：Chemical biology & drug design

authors： Ma L,Wang T,Shi M,Fu P,Pei H,Ye H

更新日期：2016-07-01 00:00:00

abstract：:We report an advanced 'hybrid fingerprint' design concept specifically for the purpose of scaffold hopping. The generation of hybrid fingerprints includes two major steps. In the 'fingerprint reduction' step, bit positions of different types of fingerprints (e.g. substructural and pharmacophore fingerprints) are ranke...

journal_title：Chemical biology & drug design

authors： Nisius B,Bajorath J

更新日期：2010-02-01 00:00:00

abstract：:Malfunction or overexpression of ErbB receptors (epidermal growth factor receptors) is associated with occurrence and severity of several types of cancer. Initiation of signal cascades by ErbB2 (also known as human epidermal growth factor receptor 2/neu) in breast cancer has been blocked by monoclonal antibodies such ...

journal_title：Chemical biology & drug design

authors： Jamalan M,Zeinali M,Barzegari Asadabadi E

更新日期：2013-04-01 00:00:00

abstract：:"si-RNA-Mediated Knockdown of PDLIM5 Suppresses Gastric Cancer Cell Proliferation in Vitro" by Yanliang Li, Yongsheng Gao, Yue Xu, Xianjun Sun, Xilin Song, Heng Ma & Mingshan Yang.[1] The above article from Chemical Biology & Drug Design, published online on September 12, 2014 in Wiley Online Library (http://onlinelib...

journal_title：Chemical biology & drug design

authors：

更新日期：2018-12-01 00:00:00

abstract：:A family of nanoparticles has been fabricated featuring cationic amino acid-based side chains. This controlled surface modification provides a tool to investigate the effect of various non-covalent interactions at the nanoparticle-DNA interface. The binding affinities of these nanoparticles towards DNA were determined...

journal_title：Chemical biology & drug design

authors： Ghosh PS,Han G,Erdogan B,Rosado O,Krovi SA,Rotello VM

更新日期：2007-07-01 00:00:00

abstract：:The design of an unprecedented multicomponent reaction to and synthesis of 2-amino-5-ketoaryl pyrroles are described. The compounds (14 examples) can be synthesized by reacting aminoacetophenone sulfonamides, (hetero)aromatic aldehydes, and malonodinitrile or cyanoacetic acid derivatives in one-pot manner. Pharmacopho...

journal_title：Chemical biology & drug design

authors： Wang K,Dömling A

更新日期：2010-03-01 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：:Homology modeling has been applied to fill in the gap in experimental G protein-coupled receptors structure determination. However, achievement of G protein-coupled receptors homology models with ligand selectivity remains challenging due to structural diversity of G protein-coupled receptors. In this work, we propose...

journal_title：Chemical biology & drug design

authors： Zeng L,Guan M,Jin H,Liu Z,Zhang L

更新日期：2015-12-01 00:00:00

abstract：:Ten new xanthone derivatives have been designed and synthesized for their potential antibacterial activity. All compounds have been screened against Staphylococcus epidermidis strains ATCC 12228 and clinical K/12/8915. The highest antibacterial activity was observed for compound 3: 5-chloro-2-((4-(2-hydroxyethyl)piper...

journal_title：Chemical biology & drug design

authors： Mazur G,Skiba-Kurek I,Karczewska E,Pańczyk-Straszak K,Jaworska J,Waszkielewicz AM

更新日期：2020-10-08 00:00:00

abstract：:Novel series of 3-O-arylalkylbenzamide and 3-O-arylalkyl-2,6-difluorobenzamide derivatives were synthesized and evaluated for their on-target activity and antibacterial activity. The results indicated that the 3-O-arylalkyl-2,6-difluorobenzamide derivatives possessed much better on-target activity and antibacterial ac...

journal_title：Chemical biology & drug design

authors： Qiang S,Wang C,Venter H,Li X,Wang Y,Guo L,Ma R,Ma S

更新日期：2016-02-01 00:00:00

abstract：:The study of protein-ligand interaction has been of a great interest in contemporary structural biology. The understanding of the nature of such interaction and determining the associated binding affinities are of utmost importance. Nuclear magnetic resonance has become a powerful tool in deriving information related ...

journal_title：Chemical biology & drug design

authors： Chandra K,Mustafi SM,Muthukumar S,Chary KV

更新日期：2011-04-01 00:00:00