Effects of drug hydrophobicity on liposomal stability.

abstract：:The development of isozyme-selective carbonic anhydrase inhibitors is currently still a great challenge. In the present study, protein-ligand complex structures were obtained by AutoDock Vina with SBR ((R)-N-(3-indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide) as the only inhibitor docked into the binding pockets of ...

journal_title：Chemical biology & drug design

authors： Xiang F,Xiang J,Fang Y,Zhang M,Li M

更新日期：2014-02-01 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：: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：: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：:A series of thiouracil derivatives were designed, synthesized and screened for in vitro inhibition of dipeptidyl peptidase IV. The SAR study indicated the influence of substituted chemical modifications on thiouracil scaffold. Compounds 8 (IC(50) = 0.32 μM), 9 (IC(50) = 0.29 μM), and 12 (IC(50) = 0.25 μM) showed excel...

journal_title：Chemical biology & drug design

authors： Sharma M,Singh D,Gupta M

更新日期：2013-02-01 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：:Forty-eight chromone derivatives were evaluated for their antioxidant activity using 2,2-diphenyl-1-picrylhydrazyl free radical scavenging assay, ferrous ions (Fe(2+) ) chelating activity test, total antioxidant activity test (Ferric thiocyanate and Thiobarbituric acid methods), and total reductive capability (potassi...

journal_title：Chemical biology & drug design

authors： Phosrithong N,Samee W,Nunthanavanit P,Ungwitayatorn J

更新日期：2012-06-01 00:00:00

abstract：:A series of novel triazolinones were synthesized and their structures were characterized by (1)H NMR, elemental analysis and single-crystal X-ray diffraction analysis. The herbicidal activities were evaluated against Echinochloa crusgalli (L.) Beauv., Digitaria adscendens, Brassica napus and Amaranthus retroflexus. Th...

journal_title：Chemical biology & drug design

authors： Wang L,Ma Y,Liu XH,Li YH,Song HB,Li ZM

更新日期：2009-06-01 00:00:00

abstract：:Our previous studies have shown that geniposide plays an essential role in glucose-stimulated insulin secretion from pancreatic β cells and also regulates the metabolism of Aβ and its deposition in neurons. In this study, we reported that insulin deficiency induced significant increase of tau phosphorylation. Administ...

journal_title：Chemical biology & drug design

authors： Zhang Y,Yin F,Liu J,Liu Z

更新日期：2016-03-01 00:00:00

abstract：:This manuscript presents a method for pre-computing and storing molecular features or ''scaffolds'' that can be used for rapid clustering of diverse compound sets within the context of a relational database based on hierarchies of scaffold structures. In addition, a method for rapid structure-based profiling of a larg...

journal_title：Chemical biology & drug design

authors： Wilkens SJ

更新日期：2006-09-01 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：: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：: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：:An application of molecular dynamics and molecular mechanics Poisson-Boltzmann surface area techniques to the prediction of protein kinase inhibitor selectivity is presented. A highly active and selective ERK2 inhibitor was placed in equivalent orientations in five different protein kinases (SRC, LCK, GSK3, JNK3 and A...

journal_title：Chemical biology & drug design

authors： Muzzioli E,Del Rio A,Rastelli G

更新日期：2011-08-01 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：:Structure-activity relationship (SAR) studies are essential in the generation of peptides with enhanced activity and efficacy as therapeutic agents. In this study, we report a Structure-activity relationship study for a family of mimetic peptides derived from type IV collagen with potent anti-angiogenic properties. Th...

journal_title：Chemical biology & drug design

authors： Rosca EV,Koskimaki JE,Pandey NB,Tamiz AP,Popel AS

更新日期：2012-07-01 00:00:00

abstract：:Bisphosphonates (BPs) have been commonly used in the treatment of osteolytic bone lesions, such as osteoporosis and osteogenesis imperfecta. However, serious side-effects can occur during the therapy. To search for novel potent BPs with lower side-effects, a series of imidazole-containing BPs (zoledronic acid [ZOL]; Z...

journal_title：Chemical biology & drug design

authors： Lin J,Peng Y,Liu Q,Li K,Lv G,Seimbille Y,Huang G,Gao F,Qiu L

更新日期：2021-01-01 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：: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：: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：:Combinatorial libraries continue to play a key role in drug discovery. To increase structural diversity, several experimental methods have been developed. However, limited efforts have been performed so far to quantify the diversity of the broadly used diversity-oriented synthetic libraries. Herein, we report a compre...

journal_title：Chemical biology & drug design

authors： López-Vallejo F,Nefzi A,Bender A,Owen JR,Nabney IT,Houghten RA,Medina-Franco JL

更新日期：2011-05-01 00:00:00

abstract：:Targeting overexpressed receptors on the cancer cells with radiolabeled peptides has become very important in nuclear oncology in the recent years. Peptides are small and have easy preparation and easy radiolabeling protocol with no side-effect and toxicity. These properties made them a valuable tool for tumor targeti...

journal_title：Chemical biology & drug design

authors： Rezazadeh F,Sadeghzadeh N

更新日期：2019-03-01 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：:In this research, a series of substituted 5-(5-amino-1-aryl-1H-pyrazol-4-yl)-1H-tetrazoles were synthesized and evaluated for in vitro antileishmanial activity. Among the derivatives, examined compounds 3b and 3l exhibited promising activity against promastigotes and amastigotes forms of Leishmania amazonensis. The cy...

journal_title：Chemical biology & drug design

authors： dos Santos Faiões V,Leon LL,Canto-Cavalheiro MM,Torres-Santos EC,Bernardino AM,Vegi PF,dos Santos MS

更新日期：2014-03-01 00:00:00

abstract：:Chronic myeloid leukemia (CML) is a clonal myeloproliferative disorder of the hematopoietic stem cells, characterized at the molecular level by the bcr/abl gene rearrangement. Even though targeting the fusion gene product Bcr-Abl protein is a successful strategy, development of drug resistance and that of drug intoler...

journal_title：Chemical biology & drug design

authors： Parcha P,Sarvagalla S,Madhuri B,Pajaniradje S,Baskaran V,Coumar MS,Rajasekaran B

更新日期：2017-10-01 00:00:00

abstract：:The TATA-binding protein (TBP) is a central transcription factor in eukaryotes that interacts with a large number of different transcription factors; thus, affecting these interactions will be lethal for any living being. In this work, we present the first structural and dynamic computational study of the surface prop...

journal_title：Chemical biology & drug design

authors： Santiago Á,Razo-Hernández RS,Pastor N

更新日期：2020-01-01 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：:For decades, biomedical and pharmaceutical researchers have worked to devise new and more effective therapeutics to treat diseases affecting the central nervous system. The blood-brain barrier effectively protects the brain, but poses a profound challenge to drug delivery across this barrier. Many traditional drugs ca...

journal_title：Chemical biology & drug design

authors： Stockwell J,Abdi N,Lu X,Maheshwari O,Taghibiglou C

更新日期：2014-05-01 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：: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