磺胺取代2—氨基—1,3,4—噻二唑及其过渡金属配合物的合成及抑菌…

合成了４种磺胺取代２－氨基－１，３，４噻二唑配体及其８种与过渡金属（铜、钴）的配合物，配体结构由元素分析及红外光谱证实，配位情况依据原子吸收数据进行了计算与推断，对全部化合物进行了初步抑菌活性筛选，结果显示：钴配合物的抗菌活性较强。     

N－（2－羟基萘甲醛）甘氨酸希夫碱及其铜（Ⅱ）、镍（Ⅱ）配合物的合成、表征和抗癌活性

合成了Ｌ－甘氨酸与２－羟基－萘甲醛的希夫碱及其铜（Ⅱ）、镍（Ⅱ）配合物，配体及其铜（Ⅱ）、镍（Ⅱ）配合物化学式分别为Ｋ（Ｃ１３Ｈ１２ＮＯ４），Ｃｕ（Ｃ１３Ｈ１１ＮＯ４），Ｎｉ（Ｃ１３Ｈ１５ＮＯ４）．配合物中配体以酚氧、亚胺氮和羧盐氧进行配位，铜（Ⅱ）配合物是四配位的，而镍（Ⅱ）配合物是六配位的。三种化合物抗小白鼠ＥＡＣ活性试验表明，铜（Ⅱ）配合物的抑癌率为２７．５％，其它两化合物无明显抗ＥＡＣ活性。     

N—（2—羟基萘甲醛）甘氨酸希夫碱及其铜（Ⅱ）,镍（Ⅱ）配合物的…

合成了Ｌ－甘氨酸与２－羟基－萘甲醛的希夫碱及其铜（Ⅱ）、镍（Ⅱ）配合物，配体及其铜（Ⅱ）、镍（Ⅱ）配合物化学式分别为Ｋ（Ｃ１３Ｈ１２ＮＯ４），Ｃｕ（Ｃ１２Ｈ１１ＮＯ４），Ｎｉ（Ｃ１３Ｈ１５ＮＯ４），配合物中配体以酚氧、亚胺氮和羧盐氧进行配位，铜（Ⅱ）配合物是四配位的，而镍（Ⅱ）配合物是六配位的，三种化合物抗小白鼠ＥＡＣ活性试验表明，铜（Ⅱ）配合物的抑癌率为２７．５％，其它两化合物无明显抗ＥＡＣ活性     

芦荟大黄素金属配合物的抗菌活性研究

目的 合成芦荟大黄素-锰(Ⅱ)、芦荟大黄素-铁(Ⅲ)、芦荟大黄素-钴(Ⅱ)配合物并对其进行表征，比较配体和配合物的抗菌活性。方法 以芦荟大黄素为原料，在无水乙醇中通过搅拌、溶解合成芦荟大黄素-锰(Ⅱ)、芦荟大黄素-铁(Ⅲ)、芦荟大黄素-钴(Ⅱ)配合物，采用核磁共振氢谱法、配位滴定法、红外光谱法、热重-差热分析法、紫外光谱法对其结构进行表征，采用滤纸片测试法和二倍稀释法比较配体和配合物对大肠埃希菌、金黄色葡萄球菌、肺炎链球菌等3种细菌的抑制作用。结果 配体及配合物对3种细菌均有不同程度的抑制作用，其中大多数配合物抗菌活性强于其配体。结论 芦荟大黄素与金属离子配位产生了协同抗菌作用。     

依诺沙星钴配合物的制备及其抗菌活性研究

目的 合成依诺沙星与钴的配合物,并研究其抗菌活性.方法 以水热法合成配合物,用固体培养基平板药物敏感性试验测定配合物的体外抗菌活性.结果 依诺沙星钴配合物对金黄色葡萄球菌、肺炎链球菌、绿脓杆菌、白色念珠球菌均有抗菌活性,对金黄色葡萄球菌和绿脓杆菌的抗菌活性强于配体本身.结论 依诺沙星钴配合物能在一定程度上提高了抗菌活性,可为开发新药提供依据.     

大黄酸金属配合物的抑菌活性研究

目的:合成大黄酸的三种金属配合物并对其结构进行表征,对比研究配体和配合物对三种细菌的体外抑菌活性大小。方法:在无水乙醇中合成了大黄酸的三种金属配合物,采用紫外光谱法,红外光谱法,核磁共振氢谱法对产物结构进行表征,确定了配合物的组成及结构。采用二倍稀释法测定了配合物的最小抑菌浓度(MIC),采用滤纸片法测定了配体及配合物对金黄色葡萄球菌、肺炎链球菌、大肠杆菌的抑菌活性大小。结果:合成的配合物经结构表征后,初步确定了其可能结构式为2分子大黄酸和1分子金属离子配位,抑菌活性测试结果表明,配合物的抑菌活性强于配体,其中大黄酸锰对于金黄色葡萄球菌以及大肠杆菌抑制作用都最强,抑菌圈大小分别达到了23.3、20.5 mm;而大黄酸钴对肺炎链球菌抑菌活性最强,抑菌圈达22.5 mm。二倍稀释法得出了配合物和配体的MIC值(最小抑菌浓度),根据该值大小可知,配合物抑菌活性总体上强于配体,但也有少部分与配体相当。结论:大黄酸和金属离子形成配合物后,抑菌活性增强。     

芦荟大黄素金属配合物的抗菌活性研究

目的 合成芦荟大黄素-锰(Ⅱ)、芦荟大黄素-铁(Ⅲ)、芦荟大黄素-钴(Ⅱ)配合物并对其进行表征,比较配体和配合物的抗菌活性。方法 以芦荟大黄素为原料,在无水乙醇中通过搅拌、溶解合成芦荟大黄素-锰(Ⅱ)、芦荟大黄素-铁(Ⅲ)、芦荟大黄素-钴(Ⅱ)配合物,采用核磁共振氢谱法、配位滴定法、红外光谱法、热重-差热分析法、紫外光谱法对其结构进行表征,采用滤纸片测试法和二倍稀释法比较配体和配合物对大肠埃希菌、金黄色葡萄球菌、肺炎链球菌等3种细菌的抑制作用。结果 配体及配合物对3种细菌均有不同程度的抑制作用,其中大多数配合物抗菌活性强于其配体。结论     

具有抗肿瘤活性的6,7-二氰基-二吡啶基[2,2-d:2',3'-f]喹喔啉合钴(Ⅱ)配合物的合成、晶体结构及与DNA结合的研究

合成了6,7-二氰基-二吡啶[2,2-d:2′,3′-f]喹喔啉(L)与钴(Ⅱ)形成的配合物[CoL(NO3)2(CH3CN)](1).通过元素分析、IR对其组成和性质进行了表征,并测定了它的晶体结构.结果表明,钴原子与3个N原子和四个O氧原子形成变形五角双锥配位构型.体外抗肿瘤活性筛选试验结果表明:该配合物具有强的抗肿瘤活性,且配合物活性明显优于配体.通过紫外滴定、粘度滴定、解链温度测定等方法研究了化合物及配体与CT-DNA的作用模式及结合常数,结果表明配合物与CT-DNA的作用模式为典型的嵌插作用,配合物和配体与CT-DNA的结合常数分别为4.43×105mol·L-1和1.65×105mol·L-1.     

FRu（phen）2（3，8—2R—phen）-]^2＋（R=OH，H，F）电子结构与抗癌活性研究

用密度泛函(DFT)法，对配合物[Ru(phen)2(3，8-2R—phen)^2 (R=OH，H，F)进行了理论计算研究。探讨了配合物的电子结构与其抗癌活性的关系：主配体上3，8位上F原子的取代有利于配合物与DNA的作用，增加配合物的抗癌活性。计算结果能较好地预测配合物与DNA的作用强度、抗癌活性及指导具有较高抗癌活性配合物的合成。     

金属大环配合物与咪唑类化合物轴向配位快速反应动力学研究

模拟维生素Ｂ１２，合成了水溶性的高氯酸二氯合５，７，７，１２，１４，１４－六甲基－１，４，８，１１－四氮杂环十四－４，１１－二烯钴配合物，用先进的Ｕｎｉｏｎ Ｇｉｋｅｎ ＲＡ－４０１停流分光光度计首次对甲硝唑等四种咪唑类化合物与该配合物的轴向配位快速反应动力学性质进行了研究，探讨了它们的反应机理，对实验数据进行了拟合处理，得到预平衡步的平衡常数Ｋ和速控步的速率常数ｋ，并算出了预平衡步的ΔτＨｍ＾φ     

Synthesis of 1,3,4-thiadiazoles, imidazo[2,1-b]1,3,4-thiadiazoles and thiadiazolo[3,2-a]pyrimidines derived from benzimidazole as potential antimicrobial agents

Several new 1,3,4-thiadiazole, imidazo[2,1-b]1,3,4-thiadiazole and thiadiazole[3,2-al]pyrimidine derivatives of benzimidazole were synthesized. The compounds were obtained from 1-ethyl or benzyl 2-(2-amino-1,3,4-thiadiazol-5-yl)thiomethylbenzimidazole. The antimicrobial activity of the prepared compounds was studied.     

3-(4-哌嗪-1-苯基)-6-取代-s-三唑并［3,4-b］［1,3,4］噻二唑盐酸盐的合成及抗菌活性

为了研究水溶性稠杂环化合物的合成方法及抗菌活性，本研究采用3-(4-氯苯基)-6-取代-s-三唑并［3,4-b］［1,3,4］噻二唑(2a～n)在相转移催化剂TBAI作用下与哌嗪发生亲核取代，再与盐酸成盐制备了3-(4-哌嗪-1-苯基)-6-取代-s-三唑［3,4-b］［1,3,4］噻二唑盐酸盐(3a～n)。用试管二倍稀释法研究了新化合物的体外抗菌活性。结果表明，合成的28个新化合物极性碱性哌嗪基的引入可提高化合物的抗菌活性。该类稠杂环化合物的结构有待进一步优化。     

噻二唑类衍生物的合成与耐缺氧活性

目的设计并合成一类新型的噻二唑类衍生物,评价其耐缺氧活性。方法以氨基硫脲为起始原料,经过三步反应合成目标化合物;采用缺氧耐受实验测定目标化合物的耐缺氧活性。结果与结论合成了7个新型的噻二唑类衍生物,其耐缺氧活性经过评价,其中1个化合物的耐缺氧活性突出,具有进一步研究的前景。     

An Interactive Human Carbonic Anhydrase‐II (hCA‐II) Receptor – Pharmacophore Molecular Model & Anti‐Convulsant Activity of the Designed and Synthesized 5‐Amino‐1,3,4‐Thiadiazole‐2‐Thiol Conjugated Imine Derivatives

New imines, derived from aromatic aldehyde, chalcones and 5‐amino‐1,3,4‐thiadiazole‐2‐thiol exhibited promising anti‐convulsant activity which is explained through chemo‐biological interactions at receptor site producing the inhibition of human Carbonic Anhydrase‐II enzyme (hCA‐II) through the proposed pharmacophore model at molecular levels as basis for pharmacological activity. The compounds 5‐{1‐(4‐Chlorophenyl)‐3‐[4‐(methoxy‐phenyl)‐prop‐2‐en‐1‐ylidene]amino}‐1,3,4‐thiadiazole‐2‐thiol ( 2b ), 5‐{[1‐(4‐chloro‐phenyl)]‐3‐[4‐(dimethyl‐amino‐phenyl)‐prop‐2‐en‐1‐ylidene]amino}‐1,3,4‐thiadiazole‐2‐thiol ( 2c ) and 5‐{[1‐(4‐chloro‐phenyl)]‐3‐[(4‐amino‐phenyl)‐prop‐2‐en‐1‐ylidene]amino}‐1,3,4‐thiadiazole‐2‐thiol ( 2f ) showed 100% activity in comparison with standard Acetazolamide, a known anti‐convulsant drug. The compounds 2c , 2f also passed the Rotarod and Ethanol Potentiation tests which further confirmed them to be safe in motor coordination activity and safe from generating neurological toxicity.     

咪唑并［2,1-b］［1,3,4］噻二唑及杂环氨曼尼希碱盐酸盐的合成及抗菌活性

为了进一步优化由噻二唑核稠合的水溶性稠杂环化合物的合成方法及抗菌活性，本文用2-(4-甲氧苯基)-5-氨基-1,3,4-噻二唑(2)与α-氯代-4-氯苯乙酮(3)缩合得6-(4-氯苯基)-2-(4-甲氧苯基)-咪唑并［2,1-b］［1,3,4］噻二唑(4)，4与取代哌嗪发生亲核取代反应得到6-(4-取代哌嗪-1-苯基)-2-(4-甲氧苯基)-咪唑并［2,1-b］-［1,3,4］噻二唑(5)，5与杂环氨进行曼尼希反应并与盐酸成盐得目标化合物6-(4-取代哌嗪-1-苯基)-2-(4-甲氧苯基)-5-杂环氨基甲基-咪唑并［2,1-b］［1,3,4］噻二唑盐酸盐(1)。用试管二倍稀释法评价了15个新化合物的体外抗菌活性，结果表明，随着极性基团的引入，抗菌活性显著提高，提示该类化合物的结构修饰值得进一步研究。     

Synthesis, molecular modeling and anti-inflammatory screening of new 1,2,3-benzotriazinone derivatives

Several new 4(3H)-1,2,3-benzotriazinone derivatives were synthesized and tested for their anti-inflammatory activity and ulcerogenic effect. A docking study on the COX-2 binding pocket has been carried out for the target compounds to rationalize the possible selectivity. Among the tested compounds, the benzotriazinones linked to either thiadiazole (8) or oxadiazole (9) evoked the highest anti-inflammatory activity as well as the best binding profiles into the COX-2 binding site.     

Synthesis and evaluation of 2-amino-5-sulfanyl-1,3,4-thiadiazoles as antidepressant, anxiolytic, and anticonvulsant agents

The purpose of this study was to evaluate the title compounds on central nervous system activity by varying the substituents in the thiadiazole moiety. The newly synthesized intermediates and compounds were characterized by spectral analysis. Two of the tested compounds (3a and 3b) exhibited excellent antidepressant, anxiolytic, and anticonvulsant activity in comparison with the reference drugs.     

Synthesis and Antimycobacterial Activity of Novel Thiadiazolylhydrazones of 1‐Substituted Indole‐3‐carboxaldehydes

A series of novel thiocarbohydrazones of substituted indoles and their corresponding thiadiazole derivatives were prepared, and their structures were confirmed by different analytical and spectroscopic methods. The derivatives were prepared by a sequential synthetic strategy including substitution at N‐1 position of indole ring by various aliphatic and benzylic substituents, followed by condensation with thiocarbohydrazide, and finally cyclization by triethyl orthoformate. The derivatives were tested for their antimycobacterial activity against Mycobacterium bovis BCG, and the results revealed that among the synthesized compounds, thiadiazole derivatives 4e , 4f , 4n , 4p , 4q , and 4t exhibited the highest activity with IC₅₀ value of 3.91 μg/mL. The results indicate that the thiadiazole moiety plays a vital role in exerting antimycobacterial activity.     

Synthesis of thiadiazole derivatives bearing hydrazone moieties and evaluation of their pharmacological effects on anxiety,depression, and nociception parameters in mice

Novel thiadiazole derivatives bearing hydrazone moieties were synthesized through the reaction of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio)]acetohydrazide with aldehydes/ketones. The chemical structures of the compounds were elucidated by ¹H-NMR, ¹³C-NMR, MS-FAB spectral data, and elemental analyses. Behavioral effects of the test compounds in mice were examined by hole-board, activity cage, tail suspension and modified forced swimming tests (MFST). Antinociceptive activities were evaluated using the hot-plate and tail-clip methods. Results of the experiments indicated that the test compounds did not significantly change the exploratory behaviors or locomotor activities of animals in the hole-board and activity cage tests, respectively. Administration of the reference drug fluoxetine (10 mg/kg) and compounds 3a, 3b, 3c, 3j, 3k, and 3l significantly shortened the immobility times of animals in the tail suspension and MFST tests, indicating the antidepressant-like effects of these derivatives. Morphine (10 mg/kg) and compounds 3a, 3b, 3c, 3d, 3e, 3j, 3k, and 3l increased the reaction times of mice in both the hot-plate and tail-clip tests, indicating the antinociceptive effects of these compounds. To the best of our knowledge, this is the first study of central nervous system activities of chemical compounds carrying thiadiazole and hydrazone moieties together on their structures.     

Synthesis and anticonvulsant properties of 3-(1,3,4-thiadiazol-2-yl) thiazolidin-4-ones.

A series of 2-substituted 3-(1,3,4-thiadiazol-2-yl)thiazolidin-4-ones were synthesized and evaluated for anticonvulsant activity in a genetic model of reflex epilepsy (sound-induced seizures in DBA/2 mice). The combination of preferred substituents in the 2-position coupled with the introduction of a mercapto group on the thiadiazole moiety led to a number of active compounds. The anticonvulsant activity of most derivatives is better than that of the clinically useful anticonvulsant sodium valproate and some of them appear to possess potencies in the same range as phenytoin and clobazam.