An NMR spectroscopy study of bendaline-albumin interactions.

Abstract:

:The complete assignment of the 1H and 13C NMR spectra of bendaline (BNDL) was performed by mono-dimensional and homo- and hetero-correlated two-dimensional NMR experiments. The interaction between bendaline and albumin was also studied by the analysis of the motional parameters spin-lattice relaxation times, allowing the motional state of the BNDL free and bound with albumin to be defined. In absence of albumin the indazolacetic and benzylic moieties are characterized by roughly the same mobility and by positive sigma (cross-relaxation rates) values. In the presence of the macromolecule, the indazolacetic and benzylic moieties and the lysine change their motional behaviour to different extents, as indicated by correlation times. Data obtained in absence and in presence of the protein show that the molecular moiety of the bendaline most involved in the binding with albumin is the fragment H-4 H-5. The binding constant was evaluated at 2.4x10(3)M(-1).

journal_name

Bioorg Chem

journal_title

Bioorganic chemistry

authors

Delfini M,Bianchetti C,Di Cocco ME,Pescosolido N,Porcelli F,Rosa R,Rugo G

doi

10.1016/s0045-2068(03)00078-6

subject

Has Abstract

pub_date

2003-10-01 00:00:00

pages

378-88

issue

5

eissn

0045-2068

issn

1090-2120

pii

S0045206803000786

journal_volume

31

pub_type

杂志文章
  • Design, synthesis, biological evaluation and molecular docking studies of novel benzofuran-pyrazole derivatives as anticancer agents.

    abstract::This study deals with design and synthesis of novel benzofuran-pyrazole hybrids as anticancer agents. Eight compounds were chosen by National Cancer Institute (NCI), USA to evaluate their in vitro antiproliferative activity at 10(-5)M in full NCI 60 cell panel. The preliminary screening of the tested compounds showed ...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2015.08.006

    authors: Abd El-Karim SS,Anwar MM,Mohamed NA,Nasr T,Elseginy SA

    更新日期:2015-12-01 00:00:00

  • Design, synthesis and biological evaluation of resveratrol-cinnamoyl derivates as tubulin polymerization inhibitors targeting the colchicine binding site.

    abstract::A novel series of resveratrol-cinnamoyl hybrids as tubulin polymerization inhibitors were designed and synthesized, and evaluated for their anti-proliferative activities against A549, MCF-7, HepG2, HeLa and MDA-MB-231 five cancer cell lines. Most designed compounds showed better anti-proliferative activities. Particul...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2019.103319

    authors: Yin Y,Lian BP,Xia YZ,Shao YY,Kong LY

    更新日期:2019-12-01 00:00:00

  • Evaluation of 4-thiazolidinone derivatives as potential reverse transcriptase inhibitors against HIV-1 drug resistant strains.

    abstract::Rapid emergence of drug resistance is crucial in management of HIV infection limiting implementation of efficacious drugs in the ART regimen. Designing new molecules against HIV drug resistant strains is utmost essential. Based on the anti-HIV-1 activity, we selected four 4-thiazolidinone derivatives (S009-1908, S009-...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2017.02.007

    authors: Suryawanshi R,Jadhav S,Makwana N,Desai D,Chaturbhuj D,Sonawani A,Idicula-Thomas S,Murugesan V,Katti SB,Tripathy S,Paranjape R,Kulkarni S

    更新日期:2017-04-01 00:00:00

  • Apoptosis: A target for anticancer therapy with novel cyanopyridines.

    abstract::One of the many methods of treating cancer is to terminate the uncontrolled growth of cancer cells. So, aiming the apoptotic pathway is an exciting approach to finding new anticancer agents. A novel series of cyanopyridines was designed and synthesized for antiproliferative evaluation. 2-Amino-6-(4-(benzyloxy)phenyl)-...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2019.103481

    authors: Ismail MMF,Farrag AM,Harras MF,Ibrahim MH,Mehany ABM

    更新日期:2020-01-01 00:00:00

  • Expeditious and eco-friendly synthesis of new multifunctionalized pyrrole derivatives and evaluation of their antioxidant property.

    abstract::Diminution of oxidative stress-mediated diseases is an essential pharmaceutical objective in modern biomedical research. The present work stresses upon the efficient and eco-friendly synthesis of an array of novel diversely functionalized pyrrole derivatives which are found to be antioxidants with reactive oxygen spec...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2020.103734

    authors: Kundu T,Pramanik A

    更新日期:2020-05-01 00:00:00

  • Targeted photoresponsive carbazole-coumarin and drug conjugates for efficient combination therapy in leukemia cancer cells.

    abstract::Phototriggered drug delivery systems (PTDDSs) facilitate controlled delivery of drugs loaded on photoactive platform to the target region under light stimulation. The present study investigated the synthesis and efficacy of carbazole-coumarin (CC)-fused heterocycles as a PTDDS platform for the photocontrolled release ...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2020.103904

    authors: Wang BY,Lin YC,Lai YT,Ou JY,Chang WW,Chu CC

    更新日期:2020-07-01 00:00:00

  • Rational design of pyrrolo.

    abstract::Models have been developed for the interaction of the pyrrolo[1,2-a]benzimidazole (PBI) antitumor agents with the two-electron activating enzyme DT-diaphorase and the DNA major groove. The DT-diaphorase model and experimental results indicate that the S-enantiomer of 3-carbamido PBI can enantioselect ovarian cancers. ...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1006/bioo.2000.1183

    authors: Huang X,Suleman A,Skibo EB

    更新日期:2000-12-01 00:00:00

  • Design, synthesis and biological evaluation of novel indole derivatives as potential HDAC/BRD4 dual inhibitors and anti-leukemia agents.

    abstract::HDAC inhibitors and BRD4 inhibitors were considered to be potent anti-cancer agents. Recent studies have demonstrated that HDAC and BRD4 participate in the regulation of some signal paths like PI3K-AKT. In this work, a series of indole derivatives that combine the inhibitory activities of BRD4 and HDAC into one molecu...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2018.12.011

    authors: Cheng G,Wang Z,Yang J,Bao Y,Xu Q,Zhao L,Liu D

    更新日期:2019-03-01 00:00:00

  • Structural optimization of imidazothiazole derivatives affords a new promising series as B-Raf V600E inhibitors; synthesis, in vitro assay and in silico screening.

    abstract::BRAF mutation is commonly known in a number of human cancer types. It is counted as a potential component in treating cancer. In this study, based on structural optimization of previously reported inhibitors (3-fluro substituted derivatives of imidazo[2,1-b]thiazole-based scaffold), we designed and synthesized sixteen...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2020.103967

    authors: Ammar UM,Abdel-Maksoud MS,Ali EMH,Mersal KI,Ho Yoo K,Oh CH

    更新日期:2020-07-01 00:00:00

  • Design, synthesis, and pharmacological evaluation of novel 1,2,4-triazol-3-amine derivatives as potential agonists of GABAA subtype receptors with anticonvulsant and hypnotic effects.

    abstract::In the current study, a series of novel 1,2,4-triazol-3-amine derivatives were designed, synthesized, and biologically evaluated in vivo for their anticonvulsant and hypnotic effects in the pentylenetetrazole (PTZ)-induced seizures, maximal electroshock (MES)-induced seizures, and pentobarbital-induced sleeping tests....

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2020.104212

    authors: Jahani R,Reza Abtahi S,Nematpour M,Fasihi Dastjerdi H,Chamanara M,Hami Z,Paknejad B

    更新日期:2020-11-01 00:00:00

  • Synthesis of triphenylphosphonium dibenzothiophene S-oxide derivatives and their effect on cell cycle as photodeoxygenation-based cytotoxic agents.

    abstract::Photodeoxygenation of Dibenzothiophene-S-oxide (DBTO) in UV-A light produces atomic oxygen [O(3P)] and the corresponding sulfide, dibenzothiophene (DBT). Recently, DBTO has been derivatized to study the effect of UV-A light-driven photodeoxygenation in lipids, proteins, and nucleic acids. In this study, two DBTO deriv...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2020.104442

    authors: Isor A,O'Dea AT,Petroff JT 2nd,Skubic KN,Grady SF,Arnatt CK,McCulla RD

    更新日期:2020-12-01 00:00:00

  • Discovery of a series of selective and cell permeable beta-secretase (BACE1) inhibitors by fragment linking with the assistance of STD-NMR.

    abstract::Two β-secreatase (BACE1) inhibitors from natural products (cinnamic acid and flavone) were linked to furnish potent, cell permeable BACE1 inhibitors with noncompetitive mode of inhibition, with the assistance of saturated transfer difference (STD)-NMR technique. Some of these conjugates also exhibited selective BACE1 ...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2019.103253

    authors: Fang WS,Sun DY,Yang S,Cheng C,Moschke K,Li T,Sun S,Lichtenthaler SF,Huang J,Wang Y

    更新日期:2019-11-01 00:00:00

  • Synthesis, evaluation and molecular docking studies of amino acid derived N-glycoconjugates as antibacterial agents.

    abstract::Six amino acid derived N-glycoconjugates of d-glucose were synthesized, characterized and tested for antibacterial activity against G(+)ve (Bacillus cereus) as well as G(-)ve (Escherichia coli and Klebsiella pneumoniae) bacterial strains. All the tested compounds exhibited moderate to good antibacterial activity again...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2015.10.002

    authors: Baig N,Singh RP,Chander S,Jha PN,Murugesan S,Sah AK

    更新日期:2015-12-01 00:00:00

  • Development of broad-spectrum enterovirus antivirals based on quinoline scaffold.

    abstract::Non-polio enteroviruses such as enterovirus A71 (EV-A71), EV-D68, and coxsackievirus B3 (CVB3) are significant human pathogens with disease manifestations ranging from mild flu-like symptoms to more severe encephalitis, myocarditis, acute flaccid paralysis/myelitis, and even death. There is currently no effective anti...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2020.103981

    authors: Musharrafieh R,Kitamura N,Hu Y,Wang J

    更新日期:2020-08-01 00:00:00

  • Novel pyrimidine-pyridine hybrids: Synthesis, cyclooxygenase inhibition, anti-inflammatory activity and ulcerogenic liability.

    abstract::Some derivatives containing pyrido[2,3-d:6,5d']dipyrimidine-4,5-diones (9a-f), tetrahydropyrido[2,3-d]pyrimidine-6-carbonitriles (11a-c) and 6-(4-acetylphenyl)-2-thioxo-2,3,5,6,7,8-hexahydro-1H-pyrimido[4,5-d]pyrimidin-4-one (12) were synthesized from 6-amino-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one (8). The anti-infla...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2018.01.028

    authors: Abdelgawad MA,Bakr RB,Azouz AA

    更新日期:2018-04-01 00:00:00

  • Determination of mechanisms of action of active carbons as a feed additive.

    abstract::Activated carbon's porous structure allows it to adsorb a substrates, products and catalysts from the environment thus modificated the biocatalysis processes in digestive tract. Active carbons are currently used to remove solvents from gas streams and for water purification; however, few studies have examined the mech...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2019.02.029

    authors: Burchacka E,Łukaszewicz M,Kułażyński M

    更新日期:2019-12-01 00:00:00

  • Discovery of isoalloxazine derivatives as a new class of potential anti-Alzheimer agents and their synthesis.

    abstract::This article describes discovery of a novel and new class of cholinesterase inhibitors as potential therapeutics for Alzheimer's disease. A series of novel isoalloxazine derivatives were synthesized and biologically evaluated for their potential inhibitory outcome for both acetylcholinesterase (AChE) and butyrylcholin...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2015.05.005

    authors: Kanhed AM,Sinha A,Machhi J,Tripathi A,Parikh ZS,Pillai PP,Giridhar R,Yadav MR

    更新日期:2015-08-01 00:00:00

  • Enzymatic mechanisms for catalysis of enolization: ketosteroid isomerase.

    abstract::Breaking a carbon-hydrogen bond adjacent to a carbonyl is a slow step in a large number of chemical reactions. However, many enzymes are capable of catalyzing this reaction with great efficiency. One of the most proficient of these enzymes is 3-oxo-Delta5-steroid isomerase (KSI), which catalyzes the isomerization of a...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章,评审

    doi:10.1016/j.bioorg.2004.06.005

    authors: Pollack RM

    更新日期:2004-10-01 00:00:00

  • Synthesis and in vitro antitumor evaluation of some new thiophenes and thieno[2,3-d]pyrimidine derivatives.

    abstract::New thiophene (2-13) and thienopyrimidine (15-27) derivatives have been synthesized. Twenty three compounds were screened against five cell lines namely; hepatocellular carcinoma (liver) HepG-2, epidermoid carcinoma (larynx) Hep-2, mammary gland (breast) MCF-7, human prostate cancer PC-3 and epithelioid cervix carcino...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2018.09.022

    authors: Fouad MM,El-Bendary ER,Suddek GM,Shehata IA,El-Kerdawy MM

    更新日期:2018-12-01 00:00:00

  • Eight new glycosides with hepatoprotective activity isolated from the aerial parts of Morinda parvifolia.

    abstract::Eight new glycosides, morindaparvins P-W, were isolated from the butanol extract of the aerial parts of Morinda parvifolia. These new structures were elucidated by comprehensive spectroscopic analysis and by comparing the experimental and calculated electronic circular dichroism spectra. The butanol extract was observ...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2018.11.055

    authors: Su X,Li L,Sun H,Zhang F,Li C,Li F,Wang H,Li B,Chen R,Kang J

    更新日期:2019-06-01 00:00:00

  • Synthesis and in vitro antileishmanial activity of 5-substituted-2'-deoxyuridine derivatives.

    abstract::We report herein the synthesis and the in vitro antileishmanial evaluation of 5-substituted-2'-deoxyuridine nucleosides. The most active compound against Leishmania donovani promastigotes was Thia-dU (3a) with an IC50 =3 microM. This compound exhibited the same activity as zidovudine (3'-azido-2'-deoxythymidine) used ...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2005.07.001

    authors: Peyron C,Benhida R,Bories C,Loiseau PM

    更新日期:2005-12-01 00:00:00

  • New A2A adenosine receptor antagonists: a structure-based upside-down interaction in the receptor cavity.

    abstract::Adenosine receptor antagonists are generally based on heterocyclic core structures presenting substituents of various volumes and chemical-physical profiles. Adenine and purine-based adenosine receptor antagonists have been reported in literature. In this work we combined various substituents in the 2, 6, and 8-positi...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2019.103183

    authors: Lambertucci C,Spinaci A,Buccioni M,Dal Ben D,Ngouadjeu Ngnintedem MA,Kachler S,Marucci G,Klotz KN,Volpini R

    更新日期:2019-11-01 00:00:00

  • In vitro study and structure-activity relationship analysis of stilbenoid derivatives as powerful vasorelaxants: Discovery of new lead compound.

    abstract::The development of vasorelaxant as the antihypertensive drug is important as it produces a rapid and direct relaxation effect on the blood vessel muscles. Resveratrol (RV), as the most widely studied stilbenoid and the lead compound, inducing the excellent vasorelaxation effect through the multiple signalling pathways...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2020.104239

    authors: Chan SY,Loh YC,Oo CW,Yam MF

    更新日期:2020-11-01 00:00:00

  • Drechmerin H, a novel 1(2), 2(18)-diseco indole diterpenoid from the fungus Drechmeria sp. as a natural agonist of human pregnane X receptor.

    abstract::A novel 1(2), 2(18)-diseco indole diterpenoid, drechmerin H (1), was isolated from the fermentation broth of Drechmeria sp. together with a new indole diterpenoid, 2'-epi terpendole A (3), and a known analogue, terpendole A (2). Their structures were determined by HRESIMS, 1D and 2D NMR, ECD, and X-ray single crystal ...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2018.05.001

    authors: Zhao JC,Luan ZL,Liang JH,Cheng ZB,Sun CP,Wang YL,Zhang MY,Zhang TY,Wang Y,Yang TM,Wu YY,Zhang YX,Zhao XY,Ma XC

    更新日期:2018-09-01 00:00:00

  • In vitro and in silico studies of novel synthetic ACE-inhibitory peptides derived from Saccharomyces cerevisiae protein hydrolysate.

    abstract::The structure-function relation of YR-10 (YGKPVAVPAR) was investigated by synthesizing four structural analogs of that including YHR-10 (YGKHVAVHAR), GA-8 (GKPVAVPA), GHA-8 (GKHVAVHA), and PAR-3 (PAR). GA-8 (GKPVAVPA) was synthesized on the basis of simulated enzymatic gastrointestinal digestion performed by bioinform...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2019.03.057

    authors: Mirzaei M,Mirdamadi S,Safavi M,Hadizadeh M

    更新日期:2019-06-01 00:00:00

  • Synthesis, computational molecular docking analysis and effectiveness on tyrosinase inhibition of kojic acid derivatives.

    abstract::Tyrosinase inhibitors have become increasingly important as whitening agents and for the treatment of pigmentary disorders. In this study, the synthesis of kojic acid derivatives having 2-substituted-3-hydroxy-6-hyroxymethyl/chloromethyl/methyl/morpholinomethylpiperidinyl- methyl/pyrrolidinylmethyl-4H-pyran-4-one stru...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2019.102950

    authors: Karakaya G,Türe A,Ercan A,Öncül S,Aytemir MD

    更新日期:2019-07-01 00:00:00

  • Design, synthesis, analgesic, anti-inflammatory activity of novel pyrazolones possessing aminosulfonyl pharmacophore as inhibitors of COX-2/5-LOX enzymes: Histopathological and docking studies.

    abstract::A series of newly synthesized 4-aryl-hydrazonopyrazolones were designed and their structures were confirmed by spectral and elemental analyses. All synthesized compounds were evaluated for their in vitro COXs, 5-LOX inhibition, in vivo analgesic and anti-inflammatory activities. Compounds 5d, 5f and 5i were found to b...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2018.03.011

    authors: Abdelgawad MA,Labib MB,Ali WAM,Kamel G,Azouz AA,El-Nahass ES

    更新日期:2018-08-01 00:00:00

  • Probing phenylcarbamoylazinane-1,2,4-triazole amides derivatives as lipoxygenase inhibitors along with cytotoxic, ADME and molecular docking studies.

    abstract::Hunting small molecules as anti-inflammatory agents/drugs is an expanding and successful approach to treat several inflammatory diseases such as cancer, asthma, arthritis, and psoriasis. Besides other methods, inflammatory diseases can be treated by lipoxygenase inhibitors, which have a profound influence on the devel...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2020.104525

    authors: Muzaffar S,Shahid W,Riaz N,Saleem M,Ashraf M,Aziz-Ur-Rehman,Bashir B,Kaleem A,Al-Rashida M,Baral B,Bhattarai K,Gross H

    更新日期:2020-12-03 00:00:00

  • Role of the PH domain in regulating in vitro autophosphorylation events required for reconstitution of PDK1 catalytic activity.

    abstract::In addition to its catalytic domain, phosphoinsositide-dependent protein kinase-1 (PDK1) contains a C-terminal pleckstrin homology (PH) domain, which binds the membrane-bound phosphatidylinositol (3,4,5)-triphosphate [PI(3,4,5)P3] second messenger. Here, we report in vitro kinetic, phosphopeptide mapping, and oligomer...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2006.05.002

    authors: Gao X,Harris TK

    更新日期:2006-08-01 00:00:00

  • Sesquiterpenoids from the roots of Inula helenium inhibit acute myelogenous leukemia progenitor cells.

    abstract::One new eudesmane sesquiterpenoid, 11β-hydroxy-13-chloro-eudesm-5-en-12, 8-olide (1), was isolated from the roots of Inula helenium together with nine eudesmanolides (2-10) and one germacranolide (11). Their structures were elucidated on the basis of detailed spectroscopic analyses. All isolates were evaluated for the...

    journal_title:Bioorganic chemistry

    pub_type: 杂志文章

    doi:10.1016/j.bioorg.2019.01.055

    authors: Ding Y,Pan W,Xu J,Wang T,Chen T,Liu Z,Xie C,Zhang Q

    更新日期:2019-05-01 00:00:00