Structural Optimization,Fungicidal Activities Evaluation,DFT Study and Structure-Activity Relationship of Dopamine Derivatives with Benzothiazole Fragment from Polyrhachis dives

In our previous work, two dopamine derivatives with benzothiazole fragment were isolated and identified from Polyrhachis dives (P. dives). Based on their characteristic structure, we used them as lead compound to carry out structural optimization and subsequent fungicidal evaluation. Here 20 dopamine derivatives with benzothiazole fragment were designed and synthesized by a facile method, and their structures were characterized by ¹H-NMR, ¹³CNMR and HMRS. In bioassays, most of the title compounds possess potential fungicidal activities against Altenaia alternala (A. alternala) and Botrytis cinerea (B. cinerea). Especially, (E)-N-(2-(benzo[d]thiazol-6-yl)ethyl)-3-(p-tolyl)acrylamide and (E)-N-(2-(benzo[d]thiazol-6-yl)ethyl)-3-(4-(trifluoromethyl)phenyl)acrylamide displayed 29.3 mg/L and 10.7 mg/L EC₅₀ value against A. alternala, respectively, which possessed equivalent fungicidal activities level to hymexazol.     

Two new antibacterial sesquiterpenoids from Centipeda minima

Two new guaiane-type sesquiterpene lactones, compounds 1 and 2, along with three known guaianolide- or pseudoguaianolides, were isolated from Centipeda minima (whole plant). Their structures were identified by spectroscopic and mass-spectrometric analyses. The configuration at C5 of the guaiane framework of 1 was rationalized by quantum-mechanical calculations (Table 2). All compounds were found to be active against eight different microbial pathogens (Table 3), with MIC values in the range of 6.25-100 microg/ml.     

Bioactive compounds from Rumex plants

Two new naphthalene acylglucosides, rumexneposides A (1) and B (2), together with 12 known compounds (3-14), were isolated from the roots of Rumex nepalensis. Their structures were established by chemical and spectroscopic methods. The biological activities of compounds 1-14 as well as an additional 11 compounds previously isolated from R. nepalensis and Rumex hastatus (15–25) were evaluated against Mycobacterium tuberculosis, para-aminobenzoic acid (pAba) pathway, and a panel of human cancer cell lines. The results showed that compound 15 was the most active against M. tuberculosis with an MIC value of 2.85 μM similar to that of isoniazid. Compound 5 could inhibit pAba synthetic pathway with an MIC value of 12.6 μM, comparable to that of positive control abyssomicin C, representing a new example of the rare pAba pathway inhibitors.     

鹅不食草中具有抗菌活性的三萜类成分

从鹅不食草(Centipeda minima)全草的乙醇提取物中分离得到3个乌苏烷型三萜,其中一个新化合物用波谱学方法鉴定为ursane-20(30)-en-3β,16β,21α-triol(1),二个已知化合物的结构分别为taraxasterol acetate(2),taraxasterol(3)。抗菌试验表明化合物2和3具有较强的抗菌活性。     

Identification of blapsins A and B as potent small-molecule 14-3-3 inhibitors from the insect Blaps japanensis

In this study, we report three novel naturally occurring compounds, blapsins A (1) and B (2), and blapsamide (3) from the ethanol extract of the stink beetle, Blaps japanensis. The structures of these compounds were determined using spectroscopic methods. Compound 3 is a phenolic compound bearing a formamido group in the structure. Functional studies revealed that compounds 1 and 2 potently inhibited 14-3-3 protein-protein interactions (PPIs) with IC(50) values of 9.2 and 10.0 μM as determined by an ELISA assay, and 2.0 and 2.5 μM in an FP assay, respectively. These compounds represent the first example of natural small-molecule 14-3-3 inhibitors.     

短瓣花中的含氮化合物

从云南民间草药短瓣花（Brachystemma calycinum D.Don)根的乙醇提取物中首次分到6个化合物,包括5个含氮化合物及1个可能的人工产物。它们的结构经光谱及化学方法鉴定为短瓣花苷A（brachystemoside A,1),L- 焦谷氨酸甲酯（methyl L-pyroglutamate,2),腺嘌呤核苷（adenosine,3),2-吡咯甲酸（2－minaline,4),吡咯－2－羧酸－3'－糖酯（3'-furfuryl-pyrrole-2-carboxylate,5)及α－D－乙基葡萄糖苷（ethyl α－D－glucopyranoside,6)。其中化合物1为新化合物。     

Ganocapenoids A–D: Four new aromatic meroterpenoids from Ganoderma capense

Four new aromatic meroterpenoids, ganocapenoids A–D (1–4), together with twelve known analogues (5–16) were isolated from the fruiting bodies of Ganoderma capense. The structures of new compounds were determined through spectroscopic methods including 1D and 2D NMR and MS analyses. Their absolute configurations were assigned by ECD calculations and specific rotation comparison. The biological activities of these substances toward regulation of lipid metabolism, neurite outgrowth-promoting activity, and AchE inhibition were assessed. Compound 15 was found to be able to block lipid accumulation at a concentration of 20?μM, and compounds 4a, 4b, and 11 show moderate neurite outgrowth-promoting activity at 10?μM, while compounds 3, 6, 11, and 13 exhibit potent AchE inhibition with the IC₅₀ values of 28.6?±?1.9, 18.7?±?1.6, 8.2?±?0.2, 26.0?±?2.9?μM, respectively.     

KELMPSP:基于核极限学习机的假尿苷修饰位点识别

假尿苷(ψ)是RNA序列中的一种化学修饰,其在基因转录过程中,由酶的催化作用而形成。它是目前所发现为数最多的一种RNA修饰,并且在正常行使生物学功能方面扮演着重要角色。因此,假尿苷修饰位点的识别是一个非常重要的研究领域。随着RNA序列数据的急速增长,基于机器学习识别假尿苷位点的方法相继提出,但其识别精度有待提高。因此,本文提出了一个新的融合核苷酸化学性质、核苷酸浓度和位置特异性的单核苷酸、双核苷酸、三核苷酸偏好特征的序列编码方式,并基于此编码方式和核极限学习机（Kernel Extreme Learning Machine, KELM）算法,构建了一个新的假尿苷位点预测器,该预测器被称为“KELMPSP”。通过Jackknife测试和独立数据集测试表明,KELMPSP明显优于现有的假尿苷位点预测器。KELMPSP可以通过网站：http://39.10577.161:8890/KELMPSP进行使用。     

Complete Genome Sequence of an Amur Virus Isolated from Apodemus peninsulae in Northeastern China

Amur virus was recently identified as the causative agent of hemorrhagic fever with renal syndrome. Here we report the complete genome sequence of an Amur virus isolated from Apodemus peninsulae in Northeastern China. The sequence information provided here is critical for the molecular epidemiology and evolution of Amur virus in China.     

Phytoecdysterones from Cucubalus baccifer(Caryophyllaceae)

Six phytoecdysterones have been isolated from the n -BuOH portion of Cucubalus baccifer L., a Chinese folk medicinal plant. Their structures were elucidated as ecdysterone (1), 24(28)-ecdysterone (2), 22-deoxyecdysterone (3), 25-hydroxypanuosterone (4), rubrosterone (5) and 2,22-dideoxyecdysterone 3β-O-β- D -glucopyranoside (6) respectively on the basis of spectroscopic and chemical methods. Among them compound 6 was a new phytoecdysterone glycoside and 1-5 were first obtained from this plant.