abstract：:The physiology of the oxytocin receptor has increasingly become a focus of scientific investigation due to its connection with social behavior and psychiatric disorders with impairments in social funciton. Experimental utilization of small molecule and peptide antagonists for the oxytocin receptor has played a role in...

journal_title：Bioorganic & medicinal chemistry

authors： Smith AL,Walum H,Connor-Stroud F,Freeman SM,Inoue K,Parr LA,Goodman MM,Young LJ

更新日期：2017-01-01 00:00:00

abstract：:Pin1 (Protein interacting with NIMA1) is a peptidyl prolyl cis-trans isomerase (PPIase) which specifically catalyze the conformational conversion of the amide bond of pSer/Thr-Pro motifs in its substrate proteins and is a novel promising anticancer target. A series of new thiazole derivatives were designed and synthes...

journal_title：Bioorganic & medicinal chemistry

authors： Zhao H,Cui G,Jin J,Chen X,Xu B

更新日期：2016-11-15 00:00:00

abstract：:(1S,2E,4S,6R,7E,11E)-2,7,11-Cembratriene-4,6-diol (1) and its 4-epi-analog (2) are the cembranoid precursors to several key flavor ingredients in most Nicotiana (tobacco) species. Nearly 40-60% of 1 and 2 are purposely degraded during the commercial tobacco fermentation. However, 1 and 2 display promising bioactivitie...

journal_title：Bioorganic & medicinal chemistry

authors： Ebrahim HY,Mohyeldin MM,Hailat MM,El Sayed KA

更新日期：2016-11-15 00:00:00

abstract：:A Pd-catalysed amination method is used to convert seco-CBI, a synthetic analogue of the alkylating subunit of the duocarmycin natural products, from the phenol to amino form. This allows efficient enantioselective access to the more potent S enantiomer of aminoCBI and its incorporation into analogues of DNA minor gro...

journal_title：Bioorganic & medicinal chemistry

authors： Giddens AC,Lee HH,Lu GL,Miller CK,Guo J,Lewis Phillips GD,Pillow TH,Tercel M

更新日期：2016-11-15 00:00:00

abstract：:A series of 1,3-disubstituted 2-iminobenzimidazolines as well as a number of their tautomeric analogs were synthesized. The synthesized compounds were tested for their cytotoxicity against MDCK cells and for inhibiting activity against influenza virus A/California/07/09 (H1N1)pdm09. Based on the results obtained, 50% ...

journal_title：Bioorganic & medicinal chemistry

authors： Zarubaev VV,Morkovnik AS,Divaeva LN,Karpinskaya LA,Borodkin GS

更新日期：2016-11-15 00:00:00

abstract：:Leukemia stem cells (LSCs) account for the development of drug resistance and increased recurrence rate in acute myeloid leukemia (AML) patients. Targeted drug delivery to leukemia stem cells remains a major challenge in AML chemotherapy. Overexpressed interleukin-3 receptor alpha chain, CD123, on the surface of leuke...

journal_title：Bioorganic & medicinal chemistry

authors： Li B,Zhao W,Zhang X,Wang J,Luo X,Baker SD,Jordan CT,Dong Y

更新日期：2016-11-15 00:00:00

abstract：:Oxadiazole is a heterocyclic compound containing an oxygen atom and two nitrogen atoms in a five-membered ring. Of the four oxadiazoles known, 1,3,4-oxadiazole has become an important structural motif for the development of new drugs and the compounds containing 1,3,4-oxadiazole cores have a broad spectrum of biologic...

journal_title：Bioorganic & medicinal chemistry

authors： Pidugu VR,Yarla NS,Pedada SR,Kalle AM,Satya AK

更新日期：2016-11-01 00:00:00

abstract：:CXCR4 dimerization has been widely demonstrated both biologically and structurally. This paper mainly focused on the development of structure-based dimeric ligands that target CXCL12-CXCR4 interaction and signaling. This study presents the design and synthesis of a series of [PEG]n linked dimeric ligands of CXCR4 base...

journal_title：Bioorganic & medicinal chemistry

authors： Yang Y,Gao M,Zhang Q,Zhang C,Yang X,Huang Z,An J

更新日期：2016-11-01 00:00:00

abstract：:The quinolinone skeleton has been utilized to develop various mechanism-based immune modulators. However, the effects of quinolinone derivatives on the release of T cell-associated interleukin-2 (IL-2) have not been established. In this study, a series of novel quinolinone derivatives was synthesized, and their immuno...

journal_title：Bioorganic & medicinal chemistry

authors： Kwak SH,Kang JA,Kim M,Lee SD,Park JH,Park SG,Ko H,Kim YC

更新日期：2016-11-01 00:00:00

abstract：:The hypothesis that central analgesia with reduced side effects is obtainable by occupying an 'allosteric' site in the MOR ligand binding domain requires the development of new ligands with peculiar pharmacological profile to be used as tools. New benzomorphan derivatives, analogues of LP1, a multitarget MOR agonist/D...

journal_title：Bioorganic & medicinal chemistry

authors： Ronsisvalle S,Aricò G,Panarello F,Spadaro A,Pasquinucci L,Pappalardo MS,Parenti C,Ronsisvalle N

更新日期：2016-11-01 00:00:00

abstract：:Thirty three derivatives of 2-substituted 5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine analogues were synthesized by molecular modification of a reported antimycobacterial molecule (GSK163574A). Compounds were evaluated in vitro against actively replicative and nutrient starved non-replicative Mycobacter...

journal_title：Bioorganic & medicinal chemistry

authors： Samala G,Brindha Devi P,Saxena S,Gunda S,Yogeeswari P,Sriram D

更新日期：2016-11-01 00:00:00

abstract：:The ability as P-glycoprotein (P-gp, ABCB1) modulators of thirty (1-30) triterpenoids of the cucurbitane-type was evaluated on human L5178 mouse T-lymphoma cell line transfected with the human MDR1 gene, through the rhodamine-123 exclusion assay. Compounds (1-26, and 29, 30) were previously obtained from the African m...

journal_title：Bioorganic & medicinal chemistry

authors： Ramalhete C,Mulhovo S,Molnar J,Ferreira MU

更新日期：2016-11-01 00:00:00

abstract：:Positron emission tomography (PET) using fluorine-18 (18F)-labeled 2-nitroimidazole radiotracers has proven useful for assessment of tumor oxygenation. However, the passive diffusion-driven cellular uptake of currently available radiotracers results in slow kinetics and low tumor-to-background ratios. With the aim to ...

journal_title：Bioorganic & medicinal chemistry

authors： Wanek T,Kreis K,Križková P,Schweifer A,Denk C,Stanek J,Mairinger S,Filip T,Sauberer M,Edelhofer P,Traxl A,Muchitsch VE,Mereiter K,Hammerschmidt F,Cass CE,Damaraju VL,Langer O,Kuntner C

更新日期：2016-11-01 00:00:00

abstract：:A series of arylidene N-alkoxydiketopiperazines was designed and stereoselectively synthesized via oxime-ether formation and intramolecular acylation. Possible cyclization and acid-catalyzed rearrangement-fragmentation mechanisms were discussed. The crystal structure of the novel diketopiperazine further confirmed the...

journal_title：Bioorganic & medicinal chemistry

authors： Tian X,Feng J,Fan SM,Zhen XL,Han JR,Liu SX

更新日期：2016-11-01 00:00:00

abstract：:The viroporin p7 of the hepatitis C virus forms multimeric channels eligible for ion transport across the endoplasmic reticulum membrane. Currently the subject of many studies and discussion, the molecular assembly of the ion channel and the structural characteristics of the p7 monomer are not yet fully understood. St...

journal_title：Bioorganic & medicinal chemistry

authors： Holzmann N,Chipot C,Penin F,Dehez F

更新日期：2016-10-15 00:00:00

abstract：:This paper describes and illustrates the use of ensemble-based docking, i.e., using a collection of protein structures in docking calculations for hit discovery, the exploration of biochemical pathways and toxicity prediction of drug candidates. We describe the computational engineering work necessary to enable large ...

journal_title：Bioorganic & medicinal chemistry

authors： Evangelista W,Weir RL,Ellingson SR,Harris JB,Kapoor K,Smith JC,Baudry J

更新日期：2016-10-15 00:00:00

abstract：:A series of 8-hydroxyquinolin derivatives substituted with (benzo[d][1,2]selenazol-3(2H)-one) at the 2-position were synthesized and evaluated for treatment of Alzheimer's disease. In vitro assays demonstrated that most of the target compounds exhibit significant inhibition of Cu(II)-induced Aβ1-42 aggregation, rapid ...

journal_title：Bioorganic & medicinal chemistry

authors： Wang B,Wang Z,Chen H,Lu CJ,Li X

更新日期：2016-10-01 00:00:00

abstract：:Ten 1-phenyl-1H-pyrazolo[3,4-b]pyridine derivatives connected by a linker group to benzenesulfonamide moieties with different substituents in the 4-position were synthesized and assayed against Plasmodium falciparum. These ten compounds exhibited activity in vitro against the chloroquine-resistant clone W2 with IC50 v...

journal_title：Bioorganic & medicinal chemistry

authors： Silva TB,Bernardino AMR,Ferreira MLG,Rogerio KR,Carvalho LJM,Boechat N,Pinheiro LCS

更新日期：2016-09-15 00:00:00

abstract：:Tyrosinase is known as the key enzyme for melanin biosynthesis, which is effective in preventing skin injury by ultra violet (UV). In past decades, tyrosinase has been well studied in the field of cosmetics, medicine, agriculture and environmental sciences, and a lot of tyrosinase inhibitors have been developed for th...

journal_title：Bioorganic & medicinal chemistry

authors： Oyama T,Takahashi S,Yoshimori A,Yamamoto T,Sato A,Kamiya T,Abe H,Abe T,Tanuma SI

更新日期：2016-09-15 00:00:00

abstract：:A facile and robust microwave-assisted solution phase parallel synthesis protocol was exercised for the development of a 38-member library of N,N'-disubstituted thiourea analogues (1-38) by using an identical set of conditions. The reaction time for synthesis of N,N'-disubstituted thiourea analogues was drastically re...

journal_title：Bioorganic & medicinal chemistry

authors： Rauf MK,Zaib S,Talib A,Ebihara M,Badshah A,Bolte M,Iqbal J

更新日期：2016-09-15 00:00:00

abstract：:A novel series of carbamoyl derivatives of alkylimidazole has been designed and their anticonvulsant activity was comparatively evaluated in the mice- and rats-maximal-electroshock (MES), subcutaneous-metrazol (scMet) seizure tests and the mice-6Hz psychomotor (6Hz) models. The ten new designed molecules contain in th...

journal_title：Bioorganic & medicinal chemistry

authors： Mawasi H,Bibi D,Bialer M

更新日期：2016-09-15 00:00:00

abstract：:Breast cancer is the second most common cancer worldwide after lung cancer with the vast majority of early stage breast cancers being hormone-dependent. One of the major therapeutic advances in the clinical treatment of breast cancer has been the introduction of selective estrogen receptor modulators (SERMs). We descr...

journal_title：Bioorganic & medicinal chemistry

authors： Kelly PM,Bright SA,Fayne D,Pollock JK,Zisterer DM,Williams DC,Meegan MJ

更新日期：2016-09-15 00:00:00

abstract：:Metabolic disorders such as diabetes are known risk factors for developing cholesterol gallstone disease (CGD). Cholesterol gallstone disease is one of the most prevalent digestive diseases, leading to considerable financial and social burden worldwide. Ursodeoxycholic acid (UDCA) is the only bile acid drug approved b...

journal_title：Bioorganic & medicinal chemistry

authors： Yu DD,Andrali SS,Li H,Lin M,Huang W,Forman BM

更新日期：2016-09-15 00:00:00

abstract：:Condensation of substituted anthranilic acids with 4-isothiocyanatoethyl-benzenesulfonamide led to series of heterocyclic benzenesulfonamides incorporating 2-mercapto-quinazolin-4-one tails. These sulfonamides were investigated as inhibitors of the human carbonic anhydrase (hCA, EC 4.2.1.1) isoforms hCA I and II (cyto...

journal_title：Bioorganic & medicinal chemistry

authors： Bozdag M,Alafeefy AM,Carta F,Ceruso M,Al-Tamimi AS,Al-Kahtani AA,Alasmary FAS,Supuran CT

更新日期：2016-09-15 00:00:00

abstract：:A series of N,N-bis(glycityl)amines with promising anti-cancer activity were prepared via the reductive amination of pentoses and hexoses, and subsequently screened for their ability to selectively inhibit the growth of cancerous versus non-cancerous cells. For the first time, we show that this class of compounds poss...

journal_title：Bioorganic & medicinal chemistry

authors： Waghorne CL,Corkran HM,Hunt-Painter AA,Niktab E,Baty JW,Berridge MV,Munkacsi AB,McConnell MJ,Timmer MSM,Stocker BL

更新日期：2016-09-01 00:00:00

abstract：:A branched peptide containing multiple boronic acids was found to bind RRE IIB selectively and inhibit HIV-1 p24 capsid production in a dose-dependent manner. Structure-activity relationship studies revealed that branching in the peptide is crucial for the low micromolar binding towards RRE IIB, and the peptide demons...

journal_title：Bioorganic & medicinal chemistry

authors： Wynn JE,Zhang W,Tebit DM,Gray LR,Hammarskjold ML,Rekosh D,Santos WL

更新日期：2016-09-01 00:00:00

abstract：:Conjugation of cancer targeting peptides (CTPs) with small molecular therapeutics has emerged as a promising strategy to deliver potent (but typically nonspecific) cytotoxic agents selectively to cancer cells. Here we report the engineered production of a CTP (NGR)-containing C-1027 and evaluation of its activity agai...

journal_title：Bioorganic & medicinal chemistry

authors： Li W,Li X,Huang T,Teng Q,Crnovcic I,Rader C,Shen B

更新日期：2016-09-01 00:00:00

abstract：:Our research found that the 2-hydroxyacetophenone derivative is an outstanding linker between the 1,1-bistrifluoromethylcarbinol moiety and the imidazolidine-2,4-dione moiety to enhance the potency and β-selectivity of liver X receptor (LXR) agonist in our head-to-tail molecular design. The incorporation of this linke...

journal_title：Bioorganic & medicinal chemistry

authors： Koura M,Yamaguchi Y,Kurobuchi S,Sumida H,Watanabe Y,Enomoto T,Matsuda T,Okuda A,Koshizawa T,Matsumoto Y,Shibuya K

更新日期：2016-08-15 00:00:00

abstract：:RNase L is activated by 2',5'-oligoadenylates (2-5A) at subnanomolar levels to cleave single-stranded RNA. We previously reported the hypothesis that the introduction of an 8-methyladenosine residue at the 2'-terminus of the 2-5A tetramer shifts the 2-5A binding site of RNase L. In this study, we synthesized various 5...

journal_title：Bioorganic & medicinal chemistry

authors： Kitamura Y,Kito S,Nakashima R,Tanaka K,Nagaoka K,Kitade Y

更新日期：2016-08-15 00:00:00

abstract：:A new series of 4-anilinoquinazolines with C-6 ureido and thioureido side chains and various substituents at the C-4 anilino moiety was designed, synthesized and evaluated as wild type (WT) and mutant EGFR inhibitors. Most of the compounds inhibited EGFR kinase wild type (EGFR WT) with IC50 values in the low nanomolar...

journal_title：Bioorganic & medicinal chemistry

authors： Mowafy S,Galanis A,Doctor ZM,Paranal RM,Lasheen DS,Farag NA,Jänne PA,Abouzid KA

更新日期：2016-08-15 00:00:00

abstract：:Novel benzimidazolium salts were synthesized as N-heterocyclic carbene (NHC) precursors, these NHC precursors were metallated with Ag2O in dichloromethane at room temperature to give novel silver(I)-NHC complexes. Structures of these benzimidazolium salts and silver(I)-NHC complexes were characterized on the basis of ...

journal_title：Bioorganic & medicinal chemistry

authors： Kaloğlu M,Kaloğlu N,Özdemir İ,Günal S,Özdemir İ

更新日期：2016-08-15 00:00:00

abstract：:The enzyme geranylgeranyl diphosphate synthase (GGDPS) is believed to receive the substrate farnesyl diphosphate through one lipophilic channel and release the product geranylgeranyl diphosphate through another. Bisphosphonates with two isoprenoid chains positioned on the α-carbon have proven to be effective inhibitor...

journal_title：Bioorganic & medicinal chemistry

authors： Foust BJ,Allen C,Holstein SA,Wiemer DF

更新日期：2016-08-15 00:00:00

abstract：:A novel series of CD1d ligand α-galactosylceramides (α-GalCers) were synthesized by incorporation of the heavy atoms Br and Se in the acyl chain backbone of α-galactosyl-N-cerotoylphytosphingosine. The synthetic analogues are potent CD1d ligands and stimulate mouse invariant natural killer T (iNKT) cells to selectivel...

journal_title：Bioorganic & medicinal chemistry

authors： Hossain MI,Hanashima S,Nomura T,Lethu S,Tsuchikawa H,Murata M,Kusaka H,Kita S,Maenaka K

更新日期：2016-08-15 00:00:00

abstract：:The success of inhibition of the proteasome by formation of covalent bonds is a major victory over the long held-view that this would lead to binding the wrong targets and undoubtedly lead to toxicity. Great challenges are now found in uncovering ensembles of new moieties capable of forming long lasting ties. We have ...

journal_title：Bioorganic & medicinal chemistry

authors： Brouwer AJ,Herrero Álvarez N,Ciaffoni A,van de Langemheen H,Liskamp RM

更新日期：2016-08-15 00:00:00

abstract：:High specificity has been an important feature in affinity labeling for target profiling. Especially, to label targets via rapidly progressing reactions with consumption of ligand (probe), high specificity of reaction with common functional groups of target protein should be achieved without reactions with similar gro...

journal_title：Bioorganic & medicinal chemistry

authors： Tomohiro T,Nakabayashi M,Sugita Y,Morimoto S

更新日期：2016-08-01 00:00:00

abstract：:A series of halogen-substituted tricyclic flavonoids containing a 1,3-dithiol-2-ylium moiety has been synthesized from the corresponding 3-dithiocarbamic flavanones. The influence of halogen substituents on the antibacterial properties of the tricyclic flavonoids has been investigated against Staphylococcus aureus and...

journal_title：Bioorganic & medicinal chemistry

authors： Bahrin LG,Sarbu LG,Hopf H,Jones PG,Babii C,Stefan M,Birsa ML

更新日期：2016-07-15 00:00:00

abstract：:Triterpene sapogenins are a group of biologically active compounds with antibacterial activity. However, the limited solubility and poor bioavailability of triterpene sapogenins restrict their therapeutic application. Polyarginine peptides are small cationic peptides with high affinities for multiple negatively charge...

journal_title：Bioorganic & medicinal chemistry

authors： Na H,Li X,Zou C,Wang C,Wang C,Liu K

更新日期：2016-07-01 00:00:00

abstract：:Sonodynamic therapy (SDT) involves the activation of a non-toxic sensitiser drug using low-intensity ultrasound to produce cytotoxic reactive oxygen species (ROS). Given the low tissue attenuation of ultrasound, SDT provides a significant benefit over the more established photodynamic therapy (PDT) as it enables activ...

journal_title：Bioorganic & medicinal chemistry

authors： McEwan C,Nesbitt H,Nicholas D,Kavanagh ON,McKenna K,Loan P,Jack IG,McHale AP,Callan JF

更新日期：2016-07-01 00:00:00

abstract：:Four novel scaffolds consisting of total 24 compounds (1a-1o, 2a-2c, 3a-3c and 4a-4c) bearing aromatic sulfonamide and coumarin moieties connected through various linkers were synthesized in order to synergize the inhibition potential of both the moieties against four selected human carbonic anhydrase isoforms (hCA I,...

journal_title：Bioorganic & medicinal chemistry

authors： Chandak N,Ceruso M,Supuran CT,Sharma PK

更新日期：2016-07-01 00:00:00

abstract：:Described herein are our limited structure-activity relationship (SAR) studies on a 5:7-fused heterocycle (1), containing the 4,6,8-triaminoimidazo[4,5-e][1,3]diazepine ring system, whose synthesis and potent broad-spectrum anticancer activity we reported a few years ago. Our SAR efforts in this study are mainly focus...

journal_title：Bioorganic & medicinal chemistry

authors： Xie M,Lapidus RG,Sadowska M,Edelman MJ,Hosmane RS

更新日期：2016-06-15 00:00:00