磷酸卡维地洛(Carvedilol Phosphate) - 药物靶点：α-adrenergic receptor x β1-adrenergic receptor_专利_临床

概要

基本信息

药物类型

小分子化药

别名

COREG MR、Carvedilol、Carvedilol phosphate (USAN)

+ [4]

靶点

α-adrenergic receptor x β1-adrenergic receptor

作用方式

拮抗剂

作用机制

α-adrenergic receptor拮抗剂(α-肾上腺素能受体家族拮抗剂)、β1-adrenergic receptor拮抗剂(β1-肾上腺素能受体拮抗剂)

治疗领域

心血管疾病

在研适应症-

非在研适应症

慢性心力衰竭原发性高血压心脏衰竭+ [3]

原研机构

GSK Plc

在研机构-

非在研机构

GSK PlcWaylis Therapeutics LLC

最高研发阶段撤市

首次获批日期

美国 (2006-10-20),

心脏衰竭高血压左心室功能不全

最高研发阶段(中国)-

特殊审评-

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结构/序列

分子式C48H60N4O17P2

InChIKeyLHNYXTULDSJZRB-UHFFFAOYSA-N

CAS号610309-89-2

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关联

18

项与磷酸卡维地洛相关的临床试验

RBR-4ccdqh6

/ Active, not recruitingN/AIIT

Removable Partial Dentures with Co-Cr versus PEEK structure: clinical crossover study

开始日期2022-01-01

申办/合作机构-

NCT03169426

/ Completed临床4期IIT

Effect of Beta-blocker on Cardioprotective Effect of Remote Ischemic Conditioning

Remote ischemic conditioning has been shown to protect myocardium from ischemia-reperfusion injury during cardiac intervention or cardiac surgery. However, effect of beta-blocker, commonly used cardiovascular medication in patients with cardiac diseases such as hypertension or angina pectoris, on cardioprotective role of remote ischemic conditioning has not been well documented. The purpose of the study is to investigate the effect of beta-blocker on remote ischemic conditioning in healthy volunteers.

开始日期2017-05-17

申办/合作机构

Seoul National University Hospital

CTR20150261

/ Active, not recruitingN/A

硫酸卡维地洛缓释胶囊（规格：72 mg）在中国健康男性受试者中的单次剂量、随机、开放生物等效性研究

研究健康男性受试者在空腹状态或进食高脂食物后，单次口服由江苏恒瑞医药股份有限公司生产的硫酸卡维地洛缓释胶囊（规格：72 mg）和葛兰素史克制药有限公司生产的磷酸卡维地洛缓释胶囊的相对生物利用度，评价两制剂间的生物等效性。评价食物对硫酸卡维地洛缓释胶囊（规格：72 mg）人体内生物利用度的影响。

开始日期2014-09-30

申办/合作机构

江苏恒瑞医药股份有限公司

100 项与磷酸卡维地洛相关的临床结果

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100 项与磷酸卡维地洛相关的转化医学

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100 项与磷酸卡维地洛相关的专利（医药）

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4,957

项与磷酸卡维地洛相关的文献（医药）

2025-03-24·Journal of Biomolecular Structure and Dynamics

Bioprospecting of Meliaceae family phytomolecules for the treatment of monkeypox virus infection: a QSAR modeling and MD simulation approach

Article

作者: AlShehail, Bashayer M. ; Al Kaabi, Nawal A. ; Alissa, Mohammed ; Alotaibi, Nouf ; Alsomali, Ghaneema ; Al-Subaie, Maha F. ; Alqahtani, Ali S. ; Rabaan, Ali A. ; Halwani, Muhammad A. ; Alshehri, Ahmad A. ; Almansour, Zainab H. ; Khamis, Faryal

Recent monkeypox virus (MPXV) infections show the risk of MPXV transmission that persists today and the significance of surveillance and quick response methods to stop the virus's spread. Currently, the monkeypox virus infection is not specifically treated. In this study, QSAR models were designed using known inhibitors of cysteine proteinase from the vaccinia virus, where the Random Forest model and Ridge model had showed the best correlation between predicted and observed EC₅₀. These models were used to screen Maliaceae family phytochemicals against MPXV cysteine proteinase. The compound, IMPHY010637 was detected in top 5 from both the QSAR screening models and showed best docked score (-8.6 kcal/mol) and thus selected for further investigation. Further, the IMPHY010637 showed interaction with the catalytic residue His²⁴¹ of the protein as reported in earlier studies. The ADMET analysis of the compound showed the acceptable drug-like properties of IMPHY010637. However, these properties could be improved after experimental validation of protein-ligand binding. Both docked complex and poses created in 100 ns MD simulation of the protein-ligand complex showed the presence of multiple hydrogen bonds. RMSD and conformation analysis showed stable binding of IMPHY010637 with the cysteine proteinase of MPXV at its active site. Compared to the known inhibitor, IMPHY010637 showed better binding with the protein as observed by the PCA and MM/GBSA analysis. This study concluded IMPHY010637 as a potential inhibitor for the cysteine proteinase of MPXV using computational methods that could be tested in in-vitro experiments.Communicated by Ramaswamy H. Sarma.

2025-03-01·Journal of Molecular Biology

DTA-GTOmega: Enhancing Drug-Target Binding Affinity Prediction with Graph Transformers Using OmegaFold Protein Structures

Article

作者: Qiang, Lyu ; Pan, Deng ; Wu, Jian ; Jiang, Yelu ; Quan, Lijun

Understanding drug-protein interactions is crucial for elucidating drug mechanisms and optimizing drug development. However, existing methods have limitations in representing the three-dimensional structure of targets and capturing the complex relationships between drugs and targets. This study proposes a new method, DTA-GTOmega, for predicting drug-target binding affinity. DTA-GTOmega utilizes OmegaFold to predict protein three-dimensional structure and construct target graphs, while processing drug SMILES sequences with RDKit to generate drug graphs. By employing multi-layer graph transformer modules and co-attention modules, this method effectively integrates atomic-level features of drugs and residue-level features of targets, accurately modeling the complex interactions between drugs and targets, thereby significantly improving the accuracy of binding affinity predictions. Our method outperforms existing techniques on benchmark datasets such as KIBA, Davis, and BindingDB_Kd under cold-start setting. Moreover, DTA-GTOmega demonstrates competitive performance in real-world DTI scenarios involving DrugBank data and drug-target interactions related to cardiovascular and nervous system-related diseases, highlighting its robust generalization capabilities. Additionally, the introduced DTI evaluation metrics further validate DTA-GTOmega's potential in handling imbalanced data.

2025-03-01·Journal of Molecular Structure

Diastereoisomeric double salts of Carvedilol with (L)- and (D)-mandelic acids.

作者: Carvalho, Paulo S. Jr ; Tenorio, Juan C. ; Alves, Diego C. B.

Crystallizing racemic Carvedilol with (S)- and (R)-mandelic acids leads to diastereomeric double salts.The salts were prepared by evaporative crystallization methods and the phases were characterized by single crystal and powder X-ray diffraction, differential scanning calorimetry, and solubility measurements.The diastereomeric double salts are isostructural; the most prominent structural feature is the enantiomeric ionic pairs assuming corresponding shapes and assembling them into racemic units.In this unit, the cation conformations are stabilized by a water mol. and the anion-anion recognition provides the formation of the racemic chain.The double salts and the true racemic Cvd mandelate salt exhibit no structural similarity.The double salts exhibit thermal stability and higher solubility than the true racemic form.The comprehension of these structures provides an insight into the interaction between Cvd enantiomers and enantiopure anions and contributes to the future resolution of the compound

100 项与磷酸卡维地洛相关的药物交易

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外链

KEGG	Wiki	ATC	Drug Bank
D03415	磷酸卡维地洛	C07AG02	DB01136

研发状态

10 条进展最快的记录,

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适应症	最高研发状态	国家/地区	公司	日期
慢性心力衰竭	临床1期	日本	GSK Plc	2008-08-28
高血压前期	临床1期	美国	GSK Plc	2007-11-01
原发性高血压	临床1期	美国	GSK Plc	2007-10-01
高血压	临床1期	美国	Waylis Therapeutics LLC	2006-10-20

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临床结果

适应症

分期

评价

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研究	分期	人群特征	评价人数	分组	结果	评价	发布日期


NCT01009918 (Lisinopril or Coreg CR in Reducing Side Effects in Women With Breast Cancer Receiving Trastuzumab, CTgov)	临床2期	心脏毒性 \| 乳腺癌	468	lisinopril (Arm I Lisinopril)	蓋餘憲繭衊餘糧顧鏇構(衊齋網窪醖廠顧構觸獵) = 衊鹽壓衊簾築廠積憲獵選繭齋壓觸遞願鹹淵糧 (襯鹹願鬱製艱衊窪範齋, 淵構艱糧構廠願艱鬱餘 ~ 觸夢範憲淵獵選選齋憲) 更多	-	2021-03-30
				Coreg CR® (Arm II Coreg CR®)	蓋餘憲繭衊餘糧顧鏇構(衊齋網窪醖廠顧構觸獵) = 簾壓鹹簾醖顧衊選憲遞選繭齋壓觸遞願鹹淵糧 (襯鹹願鬱製艱衊窪範齋, 構鬱觸觸網積夢遞窪製 ~ 願遞構壓蓋鏇夢壓鬱鏇) 更多
NCT00742508 (CTgov)	临床1期	慢性心力衰竭	41	CRV-IR+carvedilol (CRV) (CRV-IR)	範獵觸艱壓襯鹹簾壓遞(獵製蓋簾衊壓簾鬱窪遞) = 鏇觸膚簾遞獵衊鑰鬱憲繭醖觸繭淵選醖窪製衊 (築鏇鏇壓窪鹽壓簾膚憲, 淵簾廠襯鑰網廠襯願製 ~ 觸範鬱鹽膚艱範構醖獵) 更多	-	2010-08-19
				carvedilol (SK&F-105517-D)+SK&F-105517-D (SK&F-105517-D)	範獵觸艱壓襯鹹簾壓遞(獵製蓋簾衊壓簾鬱窪遞) = 願顧餘鹽夢壓選構糧願繭醖觸繭淵選醖窪製衊 (築鏇鏇壓窪鹽壓簾膚憲, 鏇壓鑰築構鏇獵範憲憲 ~ 壓鹹壓網鏇遞願鹽艱窪) 更多
NCT00273052 (CTgov)	临床3期	高血压	514	Carvedilol Phosphate (Coreg CR)	構蓋鹹夢壓製夢餘構壓(鬱蓋壓遞獵網鑰築蓋壓) = 膚製鏇選淵餘遞觸衊壓鏇製構繭積壓夢衊齋獵 (簾獵壓蓋鏇繭蓋醖獵窪, 襯鹽遞糧艱餘窪齋淵齋 ~ 鑰餘範遞繭範構夢鬱遞) 更多	-	2010-02-01
				Toprol XL (Toprol XL)	構蓋鹹夢壓製夢餘構壓(鬱蓋壓遞獵網鑰築蓋壓) = 糧夢艱繭廠艱窪淵顧醖鏇製構繭積壓夢衊齋獵 (簾獵壓蓋鏇繭蓋醖獵窪, 壓壓膚夢鬱繭獵淵範鹹 ~ 繭範蓋衊願鹽窪鹹簾衊) 更多