Molecular modeling of SWR-0342SA, a beta3-selective agonist, with beta1- and beta3-adrenoceptor.

Abstract:

:The molecular dynamics (MD) simulations study in the formation of the complex between compound SWR-0342SA and beta-ARs suggested that upon binding SWR-0342SA stimulates receptor activation through residues network (Asp104, Leu335 in beta(1)-AR; Asp117, Ser209, Leu303, Ser191 in beta(3)-AR) in an active conformation state. The models suggest that the structural origin of the selectivity of SWR-0342SA to beta(3)-AR vs. beta(1)-AR comes from the following results: (a) the tight interaction between the agonist and the TMs 3, 5, 6 and 2 nd EC loop. Asp117 interacts with the cationic amino group of the agonist molecule. (b) Additional contacts are done with Ser209, Leu303 and Ser191. These results are in good agreement with the binding affinities (pKi values) of SWR-0342SA to beta-AR family expressed in recombinant mammalian cells.

journal_name

Life Sci

journal_title

Life sciences

authors

Ahmed M,Ishiguro M,Nagatomo T

doi

10.1016/j.lfs.2005.09.023

subject

Has Abstract

pub_date

2006-03-20 00:00:00

pages

2019-23

issue

17

eissn

0024-3205

issn

1879-0631

pii

S0024-3205(05)01053-2

journal_volume

78

pub_type

杂志文章
  • Overexpression of PURPL and downregulation of NONHSAT062994 as potential biomarkers in gastric cancer.

    abstract:AIMS:Long non-coding RNAs (LncRNAs) play central roles in the formation and development of gastric cancer (GC). The aim of this study was to evaluate the expression of PURPL and NONHSAT062994 and the relationship between their expressions with clinical characteristics in GC. MAIN METHODS:PURPL and NONHSAT062994 LncRNA...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/j.lfs.2019.116904

    authors: Moridi H,Karimi J,Tavilani H,Khodadadi I,Emami Razavi AN

    更新日期:2019-11-15 00:00:00

  • Presence and some characterization of GDP dissociation inhibitors for a low Mr GTP-binding protein, ram p25, in rat spleen cytosol.

    abstract::Two proteinous factors, designated here as ram p25 GDP dissociation inhibitor (I) and (II) (ram-GDI (I) and (II)), were detected in the cytosolic fraction of rat spleen, which inhibited the initial dissociation of GDP from ram p25 produced by E. coli by causing characteristic lag. They had very weak effects on the rat...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/0024-3205(92)90455-x

    authors: Nagata K,Suzuki T,Okano Y,Nozawa Y

    更新日期:1992-01-01 00:00:00

  • Assessment of herb-drug synergy to combat doxorubicin induced cardiotoxicity.

    abstract::Aim Doxorubicin (Dox) is one of the most cardiotoxic anti-cancerous drug that is widely used for broad-range of cancers. There is an urgent need for developing cardio-oncological therapeutic interventions. Natural products having both anti-cancerous potential as well as cardioprotective effects may hold a great potent...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/j.lfs.2018.05.021

    authors: Jain A,Rani V

    更新日期:2018-07-15 00:00:00

  • Expression of steroidogenic acute regulatory protein (StAR) and LH receptor in MA-10 cells.

    abstract::LH stimulation is mediated by its own receptor at the first step of the cascade, after which intracellular cAMP increases to stimulate the transcription of steroidogenic acute regulatory protein (StAR) in mouse MA-10 Leydig tumor cells. StAR mediates the rate-limiting step of steroidogenesis, which is the transfer of ...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/s0024-3205(03)00698-2

    authors: Tsuchiya M,Inoue K,Matsuda H,Nakamura K,Mizutani T,Miyamoto K,Minegishi T

    更新日期:2003-10-17 00:00:00

  • Effects of ischemic preconditioning and adenosine pretreatment on myocardial function and energetics in a clinically relevant model.

    abstract::Preconditioning (PC) is a potential approach to myocardial protection. We hypothesize that brief ischemia or adenosine given prior to an extended period of warm ischemia may prevent myocardial stunning by altering myocardial metabolism. Using a global ischemia model, 19 dogs were subjected to no PC(control), two episo...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/j.lfs.2007.08.037

    authors: Phillips AB,Ko W

    更新日期:2007-10-13 00:00:00

  • Concanavalin A enhances ATP resynthesis via de novo pathway in postischemic rat hearts.

    abstract::Acute post-ischemic cardiac failure was studied in isolated rat hearts. Xylitol, glutamine, aspartic acid and glycine were added during reperfusion, resulting in no inotropic effect. Concanavalin A had a moderate inotropic effect. When concanavalin A added with xylitol, glutamine, aspartic acid and glycine, a rapid re...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/0024-3205(93)90705-8

    authors: Tan ZT,Tan L,Wang XW

    更新日期:1993-01-01 00:00:00

  • Clopidogrel or prasugrel reduces mortality and lessens cardiovascular damage from acute myocardial infarction in hypercholesterolemic male rats.

    abstract:AIMS:Hypercholesterolemia is a hazard for increasing susceptibility of the heart to myocardial infarction (MI) by inducing platelet hyperaggregability. Clopidogrel and prasugrel have documented cardioprotective effects in clinical studies. Herein, we investigated whether clopidogrel and prasugrel could protect against ...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/j.lfs.2020.117429

    authors: Mohammad HMF,Makary S,Atef H,El-Sherbiny M,Atteia HH,Ibrahim GA,Mohamed AS,Zaitone SA

    更新日期:2020-04-15 00:00:00

  • Streptozotocin-induced diabetes increases fructose 2,6-biphosphate levels and glucose metabolism in thymus lymphocytes.

    abstract::Acute effect of streptozotocin-induced diabetes on several parameters of glucose metabolism was investigated in thymus lymphocytes (thymocytes). The cells from diabetics rats accumulated in vitro about 2-fold more fructose 2,6-bisphosphate (Fru-2, 6-P2) in the presence of increasing glucose concentration than cells fr...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/0024-3205(95)02312-7

    authors: Moreno-Aurioles VR,Montaño R,Conde M,Bustos R,Sobrino F

    更新日期:1996-01-01 00:00:00

  • Mechanisms underlying the supra-maximal thermogenesis elicited by aminophylline in rats.

    abstract::Previous studies showed that acute treatment with aminophylline (AMPY) significantly elevated maximum thermogenesis and improved cold tolerance in rats and man in severe cold. However, the exact mechanism by which AMPY enhances thermogenesis was unknown. Rats receiving enprofylline (ENPRO) (1.5 and 15 mg/kg, i.p.), a ...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/0024-3205(89)90491-8

    authors: Wang LC,Jourdan ML,Lee TF

    更新日期:1989-01-01 00:00:00

  • Rapamycin and MCC950 modified gut microbiota in experimental autoimmune encephalomyelitis mouse by brain gut axis.

    abstract:AIMS:Multiple sclerosis (MS) whose pathogenesis is still unclear is a chronic progressive disease in the central nervous system. Gut microbiota can directly or indirectly affect the immune system through the brain gut axis to engage in the occurrence and development of the disease. MATERIALS AND METHODS:C57BL/6 mice w...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/j.lfs.2020.117747

    authors: Xu L,Zhang C,He D,Jiang N,Bai Y,Xin Y

    更新日期:2020-07-15 00:00:00

  • Chronic intermittent hypoxia stimulates testosterone production in rat Leydig cells.

    abstract:AIMS:The hypoxia-stimulated response of the endocrine system depends on the kind and duration of hypoxia. Hypoxia has been reported to stimulate testosterone (T) production in rats, but the mechanisms remain to be investigated. MATERIALS AND METHODS:Male rats were divided into two groups. The rats exposed to chronic i...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/j.lfs.2019.116694

    authors: Cho YM,Chou JC,Fang CM,Hu S,Wang KL,Wang SW,Wang PS

    更新日期:2019-09-15 00:00:00

  • Synaptic mechanisms and calcium binding proteins in the aged rat brain.

    abstract::Synaptic mechanisms were studied ex vivo in the aged rat hippocampus, using a slice preparation and intracellular electrophysiological recordings of the CA1 pyramidal neurons. A dramatic depression of the slow cholinergic excitatory postsynaptic potential (EPSP) and of the slow, GABAB-mediated inhibitory postsynaptic ...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/0024-3205(96)00321-9

    authors: Krzywkowski P,Potier B,Billard JM,Dutar P,Lamour Y

    更新日期:1996-01-01 00:00:00

  • Fetal terbutaline exposure causes selective postnatal increases in cerebellar alpha-adrenergic receptor binding.

    abstract::beta-Adrenergic agonists used in therapy of premature labor and asthma cross the placenta and can affect development of the fetal nervous system. In the current study, pregnant rats were given 10 mg/kg of terbutaline on gestational days 17, 18 and 19 and adrenergic receptor binding capabilities examined in brain regio...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/0024-3205(90)90440-3

    authors: Slotkin TA,Kudlacz EM,Lappi SE,Tayyeb MI,Seidler FJ

    更新日期:1990-01-01 00:00:00

  • Evaluation for the interaction between intrathecal melatonin and clonidine or neostigmine on formalin-induced nociception.

    abstract:AIMS:We examined the nature of pharmacological interaction after coadministration of melatonin with clonidine or neostigmine on formalin-induced nociception at the spinal level. Further, the role of melatonin receptor subtypes in melatonin-induced antinociception was clarified. MAIN METHODS:Catheters were inserted int...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/j.lfs.2008.09.028

    authors: Yoon MH,Park HC,Kim WM,Lee HG,Kim YO,Huang LJ

    更新日期:2008-12-19 00:00:00

  • Synergism between hydrogen sulfide (H(2)S) and nitric oxide (NO) in vasorelaxation induced by stonustoxin (SNTX), a lethal and hypotensive protein factor isolated from stonefish Synanceja horrida venom.

    abstract::Stonustoxin (SNTX) is a 148 kDa, dimeric, hypotensive and lethal protein factor isolated from the venom of the stonefish Synanceja horrida. SNTX (10-320 ng/ml) progressively causes relaxation of endothelium-intact, phenylephrine (PE)-precontracted rat thoracic aortic rings. The SNTX-induced vasorelaxation was inhibite...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/j.lfs.2007.01.058

    authors: Liew HC,Khoo HE,Moore PK,Bhatia M,Lu J,Moochhala SM

    更新日期:2007-04-10 00:00:00

  • Thromboxane A2 synthetase inhibition suppresses cough induced by angiotensin converting enzyme inhibitors.

    abstract::Based on our earlier animal study, we became interested to investigate if thromboxane A2 (TXA2) is involved in angiotensin converting enzyme (ACE) induced cough in man. To 11 patients with hypertension, who had developed cough induced by ACE inhibitors, a TXA2 synthetase inhibitor, ozagrel was given for 1 to 2 months ...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/s0024-3205(97)00124-0

    authors: Umemura K,Nakashima M,Saruta T

    更新日期:1997-01-01 00:00:00

  • Cytoprotective effects of silymarin on epithelial cells against arsenic-induced apoptosis in contrast with quercetin cytotoxicity.

    abstract:AIMS:To establish the differential cytoprotective activity against arsenic (As) toxicity of the flavonoids silymarin (S), which is without protective effects on cancer cells, and quercetin (Q). Arsenic (As) has a paradoxical biomedical role: it causes oxidative damage to normal cells leading to death or malignant trans...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/j.lfs.2010.07.007

    authors: Soria EA,Eynard AR,Bongiovanni GA

    更新日期:2010-08-28 00:00:00

  • Differential inhibition by alpha and epsilonPKC pseudosubstrate sequences: a putative mechanism for preferential PKC activation in neonatal cardiac myocytes.

    abstract::The aims of the current study were: 1) to determine if the epsilonPKC pseudosubstrate peptide (epsilonphi) (NH(2)-RKRQGAVRRRVHQVNG-COOH) could be used as an epsilonPKC-selective inhibitor in neonatal cardiac myocytes (NCMs) and 2) to determine if differences in the alpha and epsilonPKC autoinhibitory pseudosubstrate m...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/j.lfs.2003.11.016

    authors: Johnson JA

    更新日期:2004-05-07 00:00:00

  • Changes in hepatic energy charge, blood ketone body ratio, and indocyanine green clearance in relation to DNA synthesis after hepatectomy.

    abstract::The changes in the energy charge (ATP + 0.5 ADP)/(ATP + ADP + AMP) levels of the remnant liver were studied in relation to changes in the incorporation rate of methyl-3H-thymidine into DNA, the blood ratio of acetoacetate/beta-hydroxybutyrate and indocyanine green (ICG) clearance in 70% hepatectomized rabbits. The ene...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/0024-3205(82)90765-2

    authors: Ozawa K,Fujimoto T,Nakatani T,Asano M,Aoyama H,Tobe T

    更新日期:1982-08-16 00:00:00

  • Effects of methylphenidate on whirler mice: an animal model for hyperkinesis.

    abstract::The neurological mutant whirler mouse, one of several strains of waltzing mice, may be suitable as an animal model for testing studies relative to hyperkinesis. As in hyperkinetic children, behaviorally the mice are extremely restless, nervous, excitable, irritable and aggressive but also show symptoms of rotation beh...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/0024-3205(85)90404-7

    authors: Sackler AM,Weltman AS

    更新日期:1985-08-05 00:00:00

  • Glycosylated hemoglobin and fructosamines: does their determination really reflect the glycemic control in diabetic patients?

    abstract::The present experiment was designed to determine whether scavenging capacity of serum, in addition to glucose level, influences hemoglobin and serum protein glycosylation in non-insulin dependent diabetic patients. For this purpose forty-seven patients homogeneous for age, disease duration, therapy and glyco-metabolic...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/0024-3205(96)00256-1

    authors: Testa R,Testa I,Manfrini S,Bonfigli AR,Piantanelli L,Marra M,Pieri C

    更新日期:1996-01-01 00:00:00

  • Use of LC/MS to assess brain tracer distribution in preclinical, in vivo receptor occupancy studies: dopamine D2, serotonin 2A and NK-1 receptors as examples.

    abstract::High performance liquid chromatography combined with either single quad or triple quad mass spectral detectors (LC/MS) was used to measure the brain distribution of receptor occupancy tracers targeting dopamine D2, serotonin 5-HT2A and neurokinin NK-1 receptors using the ligands raclopride, MDL-100907 and GR205171, re...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/j.lfs.2005.04.075

    authors: Chernet E,Martin LJ,Li D,Need AB,Barth VN,Rash KS,Phebus LA

    更新日期:2005-12-12 00:00:00

  • V2-receptor blockade enhances pressor response to vasopressin: gender difference.

    abstract::The present study was performed to determine if the attenuated pressor response to vasopressin in conscious non-estrous female rats is due in part to an enhanced V2-like receptor vasodilator action. In male rats, infusion of vasopressin at a rate of 1 ng.min(-1).kg body weight-1 (wt) resulted in an increase in mean ar...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/0024-3205(96)00351-7

    authors: Wang YX,Crofton JT,Liu H,Sato K,Share L

    更新日期:1996-01-01 00:00:00

  • FcγRI (CD64) contributes to the severity of immune inflammation through regulating NF-κB/NLRP3 inflammasome pathway.

    abstract:AIMS:Fcγ receptor I (FcγRI/CD64) that is restrictedly expressed on monocytes and macrophages, acts as the single high-affinity receptor of immunoglobulin G (IgG) in human. The expression of FcγRI is positively correlated with immune inflammation. The primary aim of this study was to explore the effects of FcγRI express...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/j.lfs.2018.06.015

    authors: Zhang H,Li L,Liu L

    更新日期:2018-08-15 00:00:00

  • Calcium, microfilaments and morphogenesis.

    abstract::Morphogenesis, the generation of tissue form, is important not only in the embryogenesis of a new individual, but also because a change in morphogenesis may be involved in the establishment of differences between individuals during evolution. Morphogenetic movements are effected in part by coordinated changes in the s...

    journal_title:Life sciences

    pub_type: 杂志文章,评审

    doi:10.1016/0024-3205(83)90844-5

    authors: Stanisstreet M,Jumah H

    更新日期:1983-10-10 00:00:00

  • Effect of repetitive ischemic preconditioning on spinal cord ischemia in a rabbit model.

    abstract::A completely randomized controlled study based on a rabbit model was designed to study the effect of repetitive ischemic preconditioning (IPC) on a spinal cord ischemic reperfusion injury. Twenty four white adult Japanese rabbits were randomly assigned to one of the 3 groups (n = 8 per group): Group I: sham-operation ...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/j.lfs.2006.04.014

    authors: Yu QJ,Wang YL,Zhou QS,Huang HB,Tian SF,Duan DM

    更新日期:2006-09-05 00:00:00

  • Cardioprotective effects of baicalein on heart failure via modulation of Ca(2+) handling proteins in vivo and in vitro.

    abstract:AIMS:Baicalein is a widely used Chinese herbal medicine extracted from Labiatae plants Scutellaria baicalensis Georgi's dry root, which has multiple pharmacological activities. However, the precise mechanism of baicalein against myocardial remodeling remains poorly understood. The aim of our study was to investigate th...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/j.lfs.2015.12.036

    authors: Zhao F,Fu L,Yang W,Dong Y,Yang J,Sun S,Hou Y

    更新日期:2016-01-15 00:00:00

  • Estrogen supplement prevents the calcium hypersensitivity of cardiac myofilaments in ovariectomized rats.

    abstract::Our previous biochemical and mechanical studies have demonstrated an increase in Ca2+ sensitivity of cardiac myofilaments in ovariectomized rats. To test whether the body weight gain associated with ovariectomy contributed some effects to the changes in myofibrillar functions, the relations of pCa (-log Ca2+ molar con...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/s0024-3205(99)00623-2

    authors: Wattanapermpool J,Riabroy T,Preawnim S

    更新日期:2000-01-01 00:00:00

  • Myostatin propeptide gene delivery by gene gun ameliorates muscle atrophy in a rat model of botulinum toxin-induced nerve denervation.

    abstract:AIM:Muscle atrophy is a common symptom after nerve denervation. Myostatin propeptide, a precursor of myostatin, has been documented to improve muscle growth. However, the mechanism underlying the muscle atrophy attenuation effects of myostatin propeptide in muscles and the changes in gene expression are not well establ...

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/j.lfs.2015.12.056

    authors: Tsai SW,Tung YT,Chen HL,Yang SH,Liu CY,Lu M,Pai HJ,Lin CC,Chen CM

    更新日期:2016-02-01 00:00:00

  • Phosphodiesterase inhibitors control A172 human glioblastoma cell death through cAMP-mediated activation of protein kinase A and Epac1/Rap1 pathways.

    abstract:AIMS:We investigated whether cAMP-mediated protein kinase A(PKA) and Epac1/Rap1 pathways differentially affect brain tumor cell death using 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyrrolidone(rolipram), specific phosphodiesterase type IV(PDE IV) inhibitor. MAIN METHODS:A172 and U87MG human glioblastoma cells were used....

    journal_title:Life sciences

    pub_type: 杂志文章

    doi:10.1016/j.lfs.2011.12.010

    authors: Moon EY,Lee GH,Lee MS,Kim HM,Lee JW

    更新日期:2012-02-27 00:00:00