新型可逆性胆碱酯酶抑制剂柳珊瑚酸具有抑酶作用较强、毒性较低的特点,有可能成为冶疗老年性痴呆及老年性健忘症等疾病的新药。经构效关系研究发现,柳珊瑚酸的羧基、羰基及双键为产生生物活性的主要基团。为了深入研究构象与生物活性的...新型可逆性胆碱酯酶抑制剂柳珊瑚酸具有抑酶作用较强、毒性较低的特点,有可能成为冶疗老年性痴呆及老年性健忘症等疾病的新药。经构效关系研究发现,柳珊瑚酸的羧基、羰基及双键为产生生物活性的主要基团。为了深入研究构象与生物活性的关系,本文采用量子化学的MNDO(Modified neglect of diatomic overlap)方法对柳珊瑚酸及其甲酯(S,S-E)的构象特点进行了探讨。由于它们的环状骨架为刚性结构,不能自由旋转,涉及构象变化的主要为羧基及酯基,故本文重点研究了羧基及酯基部分的构象。展开更多
A series of dialkylaminoalkyl thioesters of α-keto thiohydroximic acid （4-RC<sub>6</sub>H<sub>4</sub>-COC·（NOH）-S-（CH<sub>2</sub>）<sub>n</sub>-NR′R″） as ac...A series of dialkylaminoalkyl thioesters of α-keto thiohydroximic acid （4-RC<sub>6</sub>H<sub>4</sub>-COC·（NOH）-S-（CH<sub>2</sub>）<sub>n</sub>-NR′R″） as acetylcholinesterase （ACHE） reactivators in vitro were reported, whose correlations between oxime acid（α-keto thiohydromate acid） dissociation constants （pKa）, Hammett values（σp） and rate of AChE reactivation were discussed by Bedford etal. They were considered as nonquaternary AChE reactivators based on the classical reactivative theory by the authors.展开更多
Suberogorgin（S）, a new reversible anticholinesterase agent, is a tricyclopentapentalane sesquiterpene acid with a rare novel structure. It is important for the exploration of the relationships between its structure ...Suberogorgin（S）, a new reversible anticholinesterase agent, is a tricyclopentapentalane sesquiterpene acid with a rare novel structure. It is important for the exploration of the relationships between its structure and bioactivities and for the development of terpene chemistry to study its structural characteristics. This note is on using 2D NMR techniques to analyse the <sup>1</sup>H and <sup>13</sup>C NMR spectra and the stereochemistry of it.展开更多
The novel reversible anticholinesterase (anti-ChE) agent suberogorgin (S) has potent anti-ChE activity and lower toxicity and is possible to become the new drug for the treatment of senile dementia and amnesia. It has...The novel reversible anticholinesterase (anti-ChE) agent suberogorgin (S) has potent anti-ChE activity and lower toxicity and is possible to become the new drug for the treatment of senile dementia and amnesia. It has been found that the carboxyl, carbonyl groups and double bond of S are the main groups to produce the biological activity in our previous studies on its structure-activity relationships (SAR). In order to explore the relationship between the conformers and biological activity, we have studied the conformational characteris-展开更多
Reversible anticholinesterase (anti-ChE)agents can inhibit the function of acetylcholinesterase (AChE)temporarily and have been used in the treatment of glaucoma and myasthenia gravis, and recently used as analeptic f...Reversible anticholinesterase (anti-ChE)agents can inhibit the function of acetylcholinesterase (AChE)temporarily and have been used in the treatment of glaucoma and myasthenia gravis, and recently used as analeptic for anesthesia, to improve the efficiency of learning and memory impairment.展开更多
文摘新型可逆性胆碱酯酶抑制剂柳珊瑚酸具有抑酶作用较强、毒性较低的特点,有可能成为冶疗老年性痴呆及老年性健忘症等疾病的新药。经构效关系研究发现,柳珊瑚酸的羧基、羰基及双键为产生生物活性的主要基团。为了深入研究构象与生物活性的关系,本文采用量子化学的MNDO(Modified neglect of diatomic overlap)方法对柳珊瑚酸及其甲酯(S,S-E)的构象特点进行了探讨。由于它们的环状骨架为刚性结构,不能自由旋转,涉及构象变化的主要为羧基及酯基,故本文重点研究了羧基及酯基部分的构象。
基金Project supported by the National Natural Science Foundation of China.
文摘A series of dialkylaminoalkyl thioesters of α-keto thiohydroximic acid （4-RC<sub>6</sub>H<sub>4</sub>-COC·（NOH）-S-（CH<sub>2</sub>）<sub>n</sub>-NR′R″） as acetylcholinesterase （ACHE） reactivators in vitro were reported, whose correlations between oxime acid（α-keto thiohydromate acid） dissociation constants （pKa）, Hammett values（σp） and rate of AChE reactivation were discussed by Bedford etal. They were considered as nonquaternary AChE reactivators based on the classical reactivative theory by the authors.
基金Project supported by the National Natural Science Foundation of China.
文摘Suberogorgin（S）, a new reversible anticholinesterase agent, is a tricyclopentapentalane sesquiterpene acid with a rare novel structure. It is important for the exploration of the relationships between its structure and bioactivities and for the development of terpene chemistry to study its structural characteristics. This note is on using 2D NMR techniques to analyse the <sup>1</sup>H and <sup>13</sup>C NMR spectra and the stereochemistry of it.
基金Project supported by the National Natural Science Foundation of China.
文摘The novel reversible anticholinesterase (anti-ChE) agent suberogorgin (S) has potent anti-ChE activity and lower toxicity and is possible to become the new drug for the treatment of senile dementia and amnesia. It has been found that the carboxyl, carbonyl groups and double bond of S are the main groups to produce the biological activity in our previous studies on its structure-activity relationships (SAR). In order to explore the relationship between the conformers and biological activity, we have studied the conformational characteris-
基金Project supported by the National Natural Science Foundation of China
文摘Reversible anticholinesterase (anti-ChE)agents can inhibit the function of acetylcholinesterase (AChE)temporarily and have been used in the treatment of glaucoma and myasthenia gravis, and recently used as analeptic for anesthesia, to improve the efficiency of learning and memory impairment.
