更新于：2024-11-07
Selegiline
司来吉兰
更新于：2024-11-07
概要
基本信息
结构
分子式C13H17N |
InChIKeyMEZLKOACVSPNER-GFCCVEGCSA-N |
CAS号14611-51-9 |
关联
29
项与 司来吉兰 相关的临床试验The Comparative Pilot Bioavailability Study of a Generic Test Formulation of Selegiline TDS 6 mg/24 Hours Against the Comparator EMSAM® 6 mg/24 Hours in Healthy Adult Subjects
Pharmacokinetic profile of betahistine blood concentration with and without selegiline in healthy volunteers - a mono-center, open-labeled phase I trial - PK-BeST
The effect of selegiline on functional and cognitive recovery in stroke patients
100 项与 司来吉兰 相关的临床结果
登录后查看更多信息
100 项与 司来吉兰 相关的转化医学
登录后查看更多信息
100 项与 司来吉兰 相关的专利（医药）
登录后查看更多信息
1,447
项与 司来吉兰 相关的文献（医药）2024-10-24CURRENT MEDICINAL CHEMISTRY
Design, Synthesis, Molecular Docking, Pharmacokinetic Properties, and Molecular Dynamics Simulation of Sulfonyl Derivatives of Benzimidazole against Parkinson’s Disease
Article
作者: Singh, Bhagat ; Roy, Shristi ; Sen, Subhadeep ; Dey, Paromita ; Sarkar, Kaushik ; Debnath, Sudhan ; Basak, Subhankar ; Das, Rajesh Kumar ; Roy, Subarna ; Biswas, Goutam ; Barman, Hema
Introduction::
The disability and mortality related to Parkinson's disease (PD), a
neurodegenerative disease, are increasing globally at a faster rate than other neurological disorders.
With no permanent cure for PD, there is an urgent need to develop novel and effective
anti-PD drugs.
Method::
Targeting monoamine oxidases (MAO), which catalyze the breakdown of
neurotransmitters, is one way to treat neurodegenerative diseases. In this context, an initial molecular
docking of twenty designed sulfonyl derivatives of benzimidazole against monoamine
oxidase B (MAO-B) associated with PD was conducted using AutoDock Vina.
Result::
The results were compared with those of the conventional inhibitors, selegiline and
rasagiline. Based on the docking score, the in-silico pharmacokinetic properties (ADME),
drug-likeness, and toxicity profiles of the newly synthesized molecules were examined using
SwissADME, PreADMET, ProTox-3.0, vNN, and ADMETlab web tools. Then, twelve potential
derivatives were synthesized and characterized by IR, 1H-NMR, 13C-NMR, 19F-NMR
(for some compounds), and mass spectrometry. Derivatives 2cj and 1bj were the two molecules
having the best binding affinity of -11.9 and -11.8 kcal/mol, respectively, against MAOB,
exhibiting a higher binding affinity compared to that of some commercially available drugs.
A 50 ns MD simulation run was performed to observe the stability of the top two docked
complexes, MAO-B-2cj and MAO-B-1bj, in order to further validate the efficacy of those two
substances. Moreover, the MM-PBSA method was used to calculate the final, binding free energy
of the simulated (MAO-B-2cj) complex.
Conclusion::
This study indicates that the binding affinity of most of the hits was superior to
that of known MAO inhibitors; therefore, these newly synthesized benzimidazole derivatives
may be developed into essential drug candidates for the treatment of PD.
2024-10-23CURRENT MEDICINAL CHEMISTRY
Unveiling the Therapeutic Potential of Small Molecule of SVAK-12: A Comprehensive In Silico, In Vitro, and In Vivo Studies on its Neuroprotective Effects and Molecular Interactions in Parkinson's Disease
Article
作者: Kokabi, Shayesteh ; Yazdanpanah, Mohammad Ali ; Angaji, Seyed Abdolhamid ; Tavakol, Shima ; Barati, Mahmood ; Alahdad, Niloofar ; Amiri, Mobina ; Simorgh, Sara ; Shahbazi, Ali ; Azedi, Fereshteh
Introduction::
Parkinson's disease (PD) is a neurodegenerative disorder associated
with a progressive loss of dopaminergic cells and as of now, there is no established
definitive treatment available for this condition.
Method::
In this study, the focus was on investigating the impact of SVAK-12, a small
molecule that can cross the blood-brain barrier and remain stable without structural
changes. The effect of SVAK-12 was investigated in vitro on neurotoxicity, in vivo model
of Parkinson's Diseases and in silico.
Result::
Through in vitro and in vivo experiments, as well as molecular docking simulations,
it was found that SVAK-12 (375 ng.ml) led to increased cell viability, reduced cellular
damage, and decreased production of NO and ROS. Additionally, it boosted levels
of important neurotrophic factors like BDNF (130.49%) and GDNF (116.38%), potentially
aiding in alleviating motor disability and depression. The study also highlighted
SVAK-12's potential as a therapeutic candidate for neurological disorders due to its ability
to increase tyrosine hydroxylase expression and dopamine levels (4.84 times). While
it did not significantly improve motor symptoms in vivo, it did enhance motor asymmetry
in the forelimbs and gene expression related to brain regions. Besides, it induced significant
BMP-2 gene expression in substantial nigra regions without significant changes
in GDNF and Nurr1 gene expression in the striatum expression. The docking of
SVAK-12, Levodopa, Amantadine, Biperiden, Selegiline, and Rasagiline to the binding
site of GFRα1, sortilin, and TrkB showed that SVAK-12 had greater MolDock score
than Selegiline and Amantadine for GFRα1 and greater than amantadine for Sortilin and
TrKB.
Conclusion::
Overall, the study suggests that SVAK-12's neuro-biocompatibility, ability
to reduce free radicals, and enhanced neurotrophic factors make it a promising candidate
as a neuroprotective drug.
2024-10-01Current computer-aided drug design
Molecular Mechanism and Structure-activity Relationship of the Inhibition
Effect between Monoamine Oxidase and Selegiline Analogues
Article
作者: Liu, Lin ; Zang, Jinqiu ; Gao, Chang ; Ma, Ziyi ; Liu, Yonglin ; Wang, Haoce ; Yang, Chuanxi ; Wang, Weiliang ; Sun, Haofen ; Wang, Xiaoning ; Liu, Yunxiang
Introduction::
To investigate the inhibition properties and structure-activity relationship
between monoamine oxidase (MAO) and selected monoamine oxidase inhibitors (MAOIs, including
selegiline, rasagiline and clorgiline).
Methods::
The inhibition effect and molecular mechanism between MAO and MAOIs were identified
via the half maximal inhibitory concentration (IC50) and molecular docking technology.
Results::
It was indicated that selegiline and rasagiline were MAO B inhibitors, but clorgiline was
MAO-A inhibitor based on the selectivity index (SI) of MAOIs (0.000264, 0.0197 and 14607.143
for selegiline, rasagiline and clorgiline, respectively). The high-frequency amino acid residues of
the MAOIs and MAO were Ser24, Arg51, Tyr69 and Tyr407 for MAO-A and Arg42 and Tyr435
for MAO B. The MAOIs and MAO A/B pharmacophores included the aromatic core, hydrogen
bond acceptor, hydrogen bond donor-acceptor and hydrophobic core.
Conclusion::
This study shows the inhibition effect and molecular mechanism between MAO and
MAOIs and provides valuable findings on the design and treatment of Alzheimer's and Parkinson's
diseases.
100 项与 司来吉兰 相关的药物交易
登录后查看更多信息
研发状态
批准上市
10 条最早获批的记录, 后查看更多信息
登录
| 适应症 | 国家/地区 | 公司 | 日期 |
|---|---|---|---|
| 重度抑郁症 | 美国 | 2006-02-27 |
未上市
10 条进展最快的记录, 后查看更多信息
登录
| 适应症 | 最高研发状态 | 国家/地区 | 公司 | 日期 |
|---|---|---|---|---|
| 可卡因相关疾病 | 临床3期 | 美国 | 2001-03-01 |
登录后查看更多信息
临床结果
临床结果
适应症
分期
评价
查看全部结果
临床2期 | 246 | Placebo | 廠鏇糧簾鏇淵選壓願構(壓積膚觸範觸鹽糧製製) = 衊衊網獵鏇願顧憲築鹹 憲憲願壓願繭範醖餘製 (觸鏇夢糧艱鹽窪鬱蓋簾, 願夢鏇構觸鹹淵觸憲顧 ~ 廠觸願鹽範顧製積簾鑰) | - | 2016-10-13 | ||
临床2期 | 243 | (Drug Selegiline) | 蓋糧觸鹹遞選襯餘膚繭(構顧簾遞構窪鑰觸壓顧) = 鏇憲糧顧遞艱醖艱遞壓 蓋壓願鹽糧蓋鬱鹽願餘 (繭繭鹹淵選膚獵壓衊鑰, 鏇糧淵鏇齋膚艱夢網顧 ~ 觸糧繭積簾醖艱積顧蓋) 更多 | - | 2016-04-04 | ||
matching placebo (Matching Placebo) | 蓋糧觸鹹遞選襯餘膚繭(構顧簾遞構窪鑰觸壓顧) = 膚範夢蓋齋遞選壓繭顧 蓋壓願鹽糧蓋鬱鹽願餘 (繭繭鹹淵選膚獵壓衊鑰, 襯憲選遞觸壓網膚壓蓋 ~ 積襯範顧顧艱衊衊憲鹹) 更多 | ||||||
临床3期 | 603 | 繭憲積築醖網夢鬱網艱(製鏇襯醖選積鬱糧鏇糧) = rotigotine+selegiline: 42%, placebo+selegiline: 15% 夢製觸淵鏇範簾鑰鹽網 (醖壓蓋襯選鹽觸顧獵壓 ) 更多 | - | 2015-04-06 | |||
Placebo+Selegiline | |||||||
临床4期 | 3 | 獵網遞願艱鹽獵艱積壓(鏇簾簾範餘願襯繭積觸) = 選齋淵遞觸獵遞糧鬱網 網憲壓鬱積醖鬱糧繭艱 (餘蓋餘觸膚廠淵顧壓齋, 觸齋醖醖窪鬱範艱鹽觸 ~ 壓簾選鏇夢鏇願選艱膚) 更多 | - | 2014-10-28 | |||
临床2期 | 101 | (Selegiline) | 鹹醖窪網觸選遞獵憲遞(窪願願夢構獵壓衊築夢) = 鹹獵製鹽齋壓選餘遞廠 襯網遞憲廠醖窪願窪遞 (襯艱齋餘顧願願膚築窪, 齋窪築鹹壓選範範壓憲 ~ 憲鏇蓋鏇築遞夢製齋餘) 更多 | - | 2014-07-16 | ||
placebo+Selegiline (Placebo) | 鹹醖窪網觸選遞獵憲遞(窪願願夢構獵壓衊築夢) = 襯繭鹽夢選鏇憲簾鑰範 襯網遞憲廠醖窪願窪遞 (襯艱齋餘顧願願膚築窪, 網襯選鹹醖獵遞壓鑰餘 ~ 願壓遞鑰艱簾餘淵網選) 更多 | ||||||
临床4期 | 308 | Placebo (Placebo) | 鹽餘憲願製鑰範憲糧醖(鑰夢鹽壓衊衊繭鹹簾鏇) = 鏇廠餘簾顧鏇鑰壓衊繭 網鑰糧積壓積廠構製窪 (製夢夢繭餘鑰夢夢鬱襯, 糧窪夢齋鹽構構顧壓蓋 ~ 鹽窪顧鬱壓鏇鏇鑰襯餘) 更多 | - | 2013-06-26 | ||
鹽餘憲願製鑰範憲糧醖(鑰夢鹽壓衊衊繭鹹簾鏇) = 鬱憲窪憲夢願鹽壓膚繭 網鑰糧積壓積廠構製窪 (製夢夢繭餘鑰夢夢鬱襯, 願選膚窪糧壓襯衊鏇壓 ~ 鹽願鏇艱顧艱淵遞鑰夢) 更多 | |||||||
N/A | - | 淵選衊選憲構鏇蓋醖鹹(艱構網網壓獵衊襯蓋艱) = 襯齋餘膚遞簾衊鹹築築 淵獵遞蓋遞繭膚選簾網 (願醖構製構蓋網觸積淵 ) | 积极 | 2012-04-23 | |||
淵選衊選憲構鏇蓋醖鹹(艱構網網壓獵衊襯蓋艱) = 鑰壓窪鑰蓋顧淵蓋製遞 淵獵遞蓋遞繭膚選簾網 (願醖構製構蓋網觸積淵 ) |
登录后查看更多信息
转化医学
使用我们的转化医学数据加速您的研究。
登录
或
药物交易
使用我们的药物交易数据加速您的研究。
登录
或
核心专利
使用我们的核心专利数据促进您的研究。
登录
或
临床分析
紧跟全球注册中心的最新临床试验。
登录
或
批准
利用最新的监管批准信息加速您的研究。
登录
或
特殊审评
只需点击几下即可了解关键药物信息。
登录
或
来和芽仔聊天吧
立即开始免费试用!
智慧芽新药情报库是智慧芽专为生命科学人士构建的基于AI的创新药情报平台，助您全方位提升您的研发与决策效率。
立即开始数据试用!
智慧芽新药库数据也通过智慧芽数据服务平台，以API或者数据包形式对外开放，助您更加充分利用智慧芽新药情报信息。
生物序列数据库
生物药研发创新
免费使用
化学结构数据库
小分子化药研发创新
免费使用