Combating oxidative stress in epilepsy: design, synthesis, quantum chemical studies and anticonvulsant evaluation of 1-(substituted benzylidene/ethylidene)-4-(naphthalen-1-yl)semicarbazides.

Azam F; El Gnidi BA; Alkskas IA

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Combating oxidative stress in epilepsy: design, synthesis, quantum chemical studies and anticonvulsant evaluation of 1-(substituted benzylidene/ethylidene)-4-(naphthalen-1-yl)semicarbazides.

机译：对抗癫痫中的氧化应激：1-（取代的亚苄基/亚乙基）-4-（萘-1-基）半脲的设计，合成，量子化学研究和抗惊厥性评估。

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A series of 1-(substituted benzylidene/ethylidene)-4-(naphthalen-1-yl)semicarbazides (3a-19a; 3b-6b) were synthesized in good yield and evaluated for their anticonvulsant and antioxidant activities. The structures of the synthesized compounds were confirmed on the basis of their spectral data and elemental analysis. All of the compounds were found to be active in MES and scPTZ tests. Quantum chemical studies were carried out on these compounds to understand the structural features essential for activity. Electronic properties were found to be the principal modulator of both anticonvulsant and antioxidant activities. A computational study was carried out for prediction of pharmacokinetic properties and none of the compounds violated Lipinski's rule of 5, making them potentially promising agents for the treatment of epilepsy.

机译：以高收率合成了一系列1-（取代的亚苄基/亚乙基）-4-（萘-1-基）氨基脲（3a-19a; 3b-6b），并对其抗惊厥和抗氧化活性进行了评估。根据其光谱数据和元素分析确定了合成化合物的结构。发现所有化合物在MES和scPTZ测试中均具有活性。对这些化合物进行了量子化学研究，以了解活性必不可少的结构特征。发现电子性质是抗惊厥和抗氧化剂活性的主要调节剂。进行了一项计算研究，以预测药代动力学特性，没有一种化合物违反Lipinski的5法则，使其成为治疗癫痫病的潜在有希望的药物。

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《European Journal of Medicinal Chemistry: Chimie Therapeutique》 |2010年第7期|共10页
作者
Azam F; El Gnidi BA; Alkskas IA;
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正文语种 eng
中图分类医药、卫生;劳动卫生;
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1. Combating oxidative stress in epilepsy: design, synthesis, quantum chemical studies and anticonvulsant evaluation of 1-(substituted benzylidene/ethylidene)-4-(naphthalen-1-yl)semicarbazides. [J] . Azam F, El Gnidi BA, Alkskas IA European Journal of Medicinal Chemistry: Chimie Therapeutique . 2010,第7期

机译：对抗癫痫中的氧化应激：1-（取代的亚苄基/亚乙基）-4-（萘-1-基）半脲的设计，合成，量子化学研究和抗惊厥性评估。
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Combating oxidative stress in epilepsy: design, synthesis, quantum chemical studies and anticonvulsant evaluation of 1-(substituted benzylidene/ethylidene)-4-(naphthalen-1-yl)semicarbazides.

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