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Acetylcholinesterase inhibition studies of alkaloid components from Crinum asiaticum var. sinicum: in vitro assessments by molecular docking and molecular dynamics simulations 积雪草生物碱成分的乙酰胆碱酯酶抑制研究:分子对接和分子动力学模拟的体外评估。
IF 1.7 3区 医学 Q2 Medicine Pub Date : 2024-05-03 DOI: 10.1080/10286020.2023.2269541
Ngo Viet Duc , Vu Thi Trang , Hoang Le Tuan Anh , Le Ba Vinh , Nguyen Viet Phong , Tran Quang Thuan , Ngo Van Hieu , Nguyen Tien Dat , Le Van Nhan , Do Thanh Tuan , Le Tuan Anh , Do Thi Thao , Bui Huu Tai , Nguyen Cao Cuong , Le Quynh Lien , Seo Young Yang

Alkaloids are among the most important and best-known secondary metabolites as sources of new drugs from medicinal plants and marine organisms. A phytochemical investigation of the whole plant of Crinum asiaticum var. sinicum resulted in the isolation of seven alkaloids (17), including one new dimeric compound, bis-(-)-8-demethylmaritidine (1). Their structures were elucidated using NMR and HR-ESI-MS. The absolute configuration of new compound 1 was established by circular dichroism spectroscopy. All isolated compounds were evaluated for their inhibitory effects on acetylcholinesterase (AChE) activity in vitro. Among them, compound 1 exhibited the most potent AChE inhibition. Moreover, molecular docking and molecular dynamics simulations were carried out for the most active compound to investigate their binding interactions and dynamics behavior of the AChE protein-ligand complex. Therefore, compound 1 may be a potential candidate for effectively treating Alzheimer’s disease.

生物碱是药用植物和海洋生物中最重要和最知名的次生代谢产物,是新药的来源。对积雪草全株进行了植物化学研究,分离出7种生物碱(1-7),其中包括一种新的二聚体化合物,双-(-)-8-去甲基玛丽替丁(1)。用NMR和HR-ESI-MS鉴定了它们的结构。用圆二色谱法确定了新化合物1的绝对构型。所有分离的化合物都在体外评估了它们对乙酰胆碱酯酶(AChE)活性的抑制作用。其中,化合物1表现出最有效的AChE抑制作用。此外,对最具活性的化合物进行了分子对接和分子动力学模拟,以研究它们的结合相互作用和AChE蛋白-配体复合物的动力学行为。因此,化合物1可能是有效治疗阿尔茨海默病的潜在候选物。
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引用次数: 0
Antibacterial oxygenated ergostane-type steroids produced by the marine sponge-derived fungus Aspergillus sp. 海洋海绵真菌曲霉产生的抗菌含氧麦角固醇类固醇
IF 1.7 3区 医学 Q2 Medicine Pub Date : 2024-05-03 DOI: 10.1080/10286020.2023.2259317
Hui-Min Wen , Ya-Wen Zhang , Fang-Jian Feng , Guo-Bao Huang , Yu-Han Lv , Zou-Yan Zhang , Li-Jian Ding

Two oxygenated ergostane-type steroids including one new compound, 3β-hydroxy-5α,6β-methoxyergosta-7,22-dien-15-one (1) along with a known analogue ergosta-6,22-dien-3β,5α,8α-triol (2) were isolated from the crude extracts of the marine sponge-derived fungus Aspergillus sp. Their structures were elucidated on the basis of combined NMR and MS spectroscopic methods. Compound 1 was a marine ergostane-type steroid with two methoxy groups at C-5 and C-6, respectively. These oxygenated ergostane-type steroids were evaluated for their antibacterial activities against human or aquatic pathogens. Among them, compound 1 exhibited antibacterial activity against Staphylococcus aureus.

从海洋海绵衍生真菌曲霉(Aspergillus sp)的粗提取物中分离出两种含氧麦角甾烷类固醇,包括一种新化合物 3β-羟基-5α,6β-甲氧基麦角甾烷-7,22-二烯-15-酮(1)和一种已知类似物麦角甾烷-6,22-二烯-3β,5α,8α-三醇(2)。化合物 1 是一种海洋麦角甾类化合物,其 C-5 和 C-6 分别含有两个甲氧基。这些含氧麦角甾烷类化合物对人类或水生病原体的抗菌活性进行了评估。其中,化合物 1 对金黄色葡萄球菌具有抗菌活性。
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引用次数: 0
Cordycepin, a bioactive compound from Cordyceps spp., moderates Alzheimer’s disease-associated pathology via anti-oxidative stress and autophagy activation 虫草素是一种来自虫草属的生物活性化合物,通过抗氧化应激和自噬激活调节阿尔茨海默病相关病理。
IF 1.7 3区 医学 Q2 Medicine Pub Date : 2024-05-03 DOI: 10.1080/10286020.2023.2258797
Natchadaporn Soraksa , Nudjanad Heebkaew , Wilasinee Promjantuek , Phongsakorn Kunhorm , Palakorn Kaokean , Nipha Chaicharoenaudomung , Parinya Noisa

Alzheimer’s causes cognitive dysfunction. This study investigated the neuro-promoting effects of cordycepin on amyloid-beta precursor protein (APP) synthesis in human neuroblastoma SH-SY5Y cells. Cordycepin was found to boost SH-SY5Y cell proliferation and decreased AD pathology. APP, PS1, and PS2 were downregulated whereas ADAM10 and SIRT1 were upregulated by cordycepin. Cordycepin also reduced APP secretion in a dose-dependent manner. Cordycepin alleviated oxidative stress by the upregulation of GPX and SOD, as well as autophagy genes (LC3, ATG5, and ATG12). Cordycepin activity was also found to be SIRT1-dependent. Therefore, cordycepin may relieve the neuronal degeneration caused by APP overproduction, and oxidative stress.

阿尔茨海默病会导致认知功能障碍。本研究探讨了虫草素对人神经母细胞瘤SH-SY5Y细胞淀粉样蛋白β前体蛋白(APP)合成的神经促进作用。虫草素可促进SH-SY5Y细胞增殖,减少AD病理。虫草素下调APP、PS1和PS2,而上调ADAM10和SIRT1。虫草素还以剂量依赖的方式减少APP的分泌。虫草素通过上调GPX和SOD以及自噬基因(LC3、ATG5和ATG12)来减轻氧化应激。虫草素活性也被发现是SIRT1依赖性的。因此,虫草素可以缓解APP过度产生和氧化应激引起的神经元变性。
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引用次数: 0
A derivative of trihydroxynaphthalenone and a pyrone metabolite from the endophytic fungus Talaromyces purpurpgenus 来自内生真菌 Talaromyces purpurpgenus 的一种三羟基萘酮衍生物和一种吡喃酮代谢物。
IF 1.7 3区 医学 Q2 Medicine Pub Date : 2024-05-03 DOI: 10.1080/10286020.2024.2333359
Yang Liu , Ke-Liang Chen , Jing-Yi Zhao , Chen-Yu Yang , Xing-Bao Jia , Yu-Wei Niu , Ya-Nan Tian , Yang Yang , Yun-Bao Liu

A newly discovered trihydroxynaphthalenone derivative, epoxynaphthalenone (1) involving the condensation of ortho-hydroxyl groups into an epoxy structure, and a novel pyrone metabolite characterized as pyroneaceacid (2), were extracted from Talaromyces purpurpgenus, an endophytic fungus residing in Rhododendron molle. The structures of these compounds were elucidated through a comprehensive analysis of their NMR and HRESIMS data. The determination of absolute configurations was accomplished using electronic circular dichroism (ECD) calculations and CD spectra. Notably, these recently identified metabolites exhibited a moderate inhibitory activity against xanthine oxidase (XOD).

从杜鹃花内生真菌 Talaromyces purpurpgenus 中提取到了一种新发现的三羟基萘酮衍生物环氧萘酮(1),其中涉及到正羟基缩合成环氧结构,以及一种新的吡喃酮代谢物吡喃酮酸(2)。通过对这些化合物的核磁共振和 HRESIMS 数据进行综合分析,阐明了它们的结构。利用电子圆二色性(ECD)计算和 CD 光谱确定了绝对构型。值得注意的是,这些新近发现的代谢物对黄嘌呤氧化酶(XOD)具有适度的抑制活性。
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引用次数: 0
Nicotine improves DSS-induced colitis by inhibiting NLRP3 and altering gut microbiota 尼古丁通过抑制 NLRP3 和改变肠道微生物群来改善 DSS 诱导的结肠炎。
IF 1.7 3区 医学 Q2 Medicine Pub Date : 2024-05-03 DOI: 10.1080/10286020.2024.2331773
Yi-Xiang Zhang , Xiao-Qian Chi , Meng Li , Wei Zhang , Ying Guan , Lian-Qiu Wu

Ulcerative colitis (UC) is a chronic recurrent inflammatory disease affecting the rectum and colon. Numerous epidemiological studies have identified smoking as a protective factor for UC. Dysbiosis of intestinal microbiota and release of inflammatory factors are well-established characteristics associated with UC. Therefore, we have observed that nicotine exhibits the potential to ameliorate colitis symptoms in UC mice. Additionally, it exerts a regulatory effect on colonic microbiota dysbiosis by promoting the growth of beneficial bacteria while suppressing harmful bacteria. Combined in vivo and in vitro investigations demonstrate that nicotine primarily impedes the assembly of NLRP3, subsequently inhibiting downstream IL-1β secretion.

溃疡性结肠炎(UC)是一种影响直肠和结肠的慢性复发性炎症性疾病。大量流行病学研究发现,吸烟是溃疡性结肠炎的一个保护因素。肠道微生物群失调和炎症因子的释放是与 UC 相关的公认特征。因此,我们观察到尼古丁具有改善 UC 小鼠结肠炎症状的潜力。此外,尼古丁还能促进有益细菌的生长,同时抑制有害细菌,从而对结肠微生物群失调产生调节作用。体内和体外综合研究表明,尼古丁主要会阻碍 NLRP3 的组装,进而抑制下游 IL-1β 的分泌。
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引用次数: 0
Potent halogenated xanthone derivatives: synthesis, molecular docking and study on antityrosinase activity 强效卤代黄酮衍生物:合成、分子对接及抗酪氨酸酶活性研究。
IF 1.7 3区 医学 Q2 Medicine Pub Date : 2024-05-03 DOI: 10.1080/10286020.2023.2264784
Fatin Farhana Baharuddin , Nadiah Mad Nasir , Bimo Ario Tejo , Soo Peng Koh , Shuruti Ramakrishnan , Nur Qurratu Ain A. Nordin , Anis Nasuha Adzahar , Pavithren Devakrishnan , Salsabiilaa Mohd Razib

Tyrosinase inhibitors can reduce melanin production for skin whitening, but some existing products may harm the skin. This study discovered six compounds that inhibit tyrosinase in the mushroom Agaricus bisporus by over 50%. Compound 11 displayed strong inhibition (92.2% and 86.7%) for L-tyrosine and L-DOPA substrates, while compound 13 showed high inhibition (96.0% and 62.0%) for both substrates. Molecular docking simulations revealed compounds 11 and 13 bind at the allosteric site of the enzyme. Xanthone derivatives, based on these findings, hold potential as safe skin whitening agents and for pigmentation-related diseases in the cosmetic industry.

酪氨酸酶抑制剂可以减少皮肤美白中黑色素的产生,但现有的一些产品可能会伤害皮肤。本研究在蘑菇双孢蘑菇中发现了六种抑制酪氨酸酶50%以上的化合物。化合物11对L-酪氨酸和L-DOPA底物显示出强抑制作用(92.2%和86.7%),而化合物13对这两种底物显示出高抑制作用(96.0%和62.0%)。分子对接模拟显示,化合物11和13在酶的变构位点结合。基于这些发现,黄酮衍生物具有作为安全的皮肤增白剂和治疗化妆品行业色素沉着相关疾病的潜力。
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引用次数: 0
Iridoid glycosides from Morinda officinalis induce lysosomal biogenesis and promote autophagic flux to attenuate oxidative stress 巴戟天的Iridoid糖苷诱导溶酶体生物发生并促进自噬流量以减轻氧化应激。
IF 1.7 3区 医学 Q2 Medicine Pub Date : 2024-05-03 DOI: 10.1080/10286020.2023.2269370
Yin-Yuan Wang , Jian-Cheng Ni , Yue-Qin Zhao , Xu Yang , Zhen-Peng Niu , Xing-Zhi Yang , Xian-Xiang Dong , Yu-Han Zhao , Xiao-Jiang Hao , Xiao Ding

Morinda officinalis is a traditional Chinese tonic herb, and have been used in the treatment of multiple diseases. Here, three iridoid glycosides isolated from M. officinalis were evaluated for their roles in the autophagy-lysosomal pathway. All three iridoid glycosides could induce TFEB/TFE3-mediated lysosomal biogenesis and trigger autophagy. Interestingly, they promoted the nuclear import of TFEB/TFE3 without affecting their nuclear export, suggesting their role in the maintenance of lysosomal homeostasis. The results from this study shed light on the identification of autophagy activators from M. officinalis and provide a basis for developing them in the treatment of oxidative stress-involved diseases.

巴戟天是一种传统的中草药,已被用于治疗多种疾病。在此,对从M.officinalis中分离的三种环烯醚萜苷在自噬-溶酶体途径中的作用进行了评估。三种环烯醚萜苷均可诱导TFEB/TFE3介导的溶酶体生物发生并触发自噬。有趣的是,它们在不影响其核输出的情况下促进了TFEB/TFE3的核输入,这表明它们在维持溶酶体稳态中的作用。这项研究的结果揭示了M.officinalis中自噬激活剂的鉴定,并为开发它们治疗氧化应激相关疾病提供了基础。
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引用次数: 0
Structure elucidation and NMR spectral assignments of one new dammarane-type triterpenoid saponin from black ginseng 黑人参中一种新的达玛烷类三萜皂苷的结构阐释和核磁共振谱定位
IF 1.7 3区 医学 Q2 Medicine Pub Date : 2024-05-03 DOI: 10.1080/10286020.2023.2253153
Xue-Ting Zhao , De-Qiang Dou , Yang Qu , Guo-Gang Zhang

New dammarane-type triterpenoid saponin, named 22(R)-notoginsenoside Ab1 (1), together with thirteen known dammarane-type triterpenoid saponins (2-14) was isolated from the EtOH extract of black ginseng and their structures were elucidated on the basis of one- and two-dimensional NMR (including 1H-NMR, 13C-NMR, HSQC, HMBC, ROESY) and calculated ECD. Among them, compounds 1-2 and 6-8 were isolated for the first time from ginseng and black ginseng. Besides, the absolute structure of 22(R)- and 22(S)- notoginsenoside Ab1 were distinguished by ECD for the first time.

从黑参的乙醇提取物中分离出新的达玛烷型三萜皂苷,命名为22(R)-notoginsenoside Ab1 (1),并根据一维和二维核磁共振(包括1H-NMR、13C-NMR、HSQC、HMBC、ROESY)和计算ECD阐明了它们的结构。其中,1-2 和 6-8 是首次从人参和黑参中分离出的化合物。此外,还首次用 ECD 方法区分了 22(R)- 和 22(S)- 人参皂苷 Ab1 的绝对结构。
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引用次数: 0
Effect and mechanism of gomisin D on the isoproterenol induced myocardial injury in H9C2 cells and mice 戈米辛 D 对异丙肾上腺素诱导的 H9C2 细胞和小鼠心肌损伤的影响和机制
IF 1.7 3区 医学 Q2 Medicine Pub Date : 2024-05-03 DOI: 10.1080/10286020.2024.2336152
Zi-Han Chen , Yan-Xin Liu , Zhi-Wei Chen , Mo-Di Lin , Jin-Lan Zhang , Zhe Wang , Hua Sun

We established myocardial injury models in vivo and in vitro to investigate the cardioprotective effect of gomisin D obtained from Schisandra chinensis. Gomisin D significantly inhibited isoproterenol-induced apoptosis and hypertrophy in H9C2 cells. Gomisin D decreased serum BNP, ANP, CK-MB, cTn-T levels and histopathological alterations, and inhibited myocardial hypertrophy in mice. In mechanisms research, gomisin D reversed ISO-induced accumulation of intracellular ROS and Ca2+. Gomisin D further improved mitochondrial energy metabolism disorders by regulating the TCA cycle. These results demonstrated that gomisin D had a significant effect on isoproterenol-induced myocardial injury by inhibiting oxidative stress, calcium overload and improving mitochondrial energy metabolism.

我们建立了体内和体外心肌损伤模型,以研究从五味子中提取的五味子素D对心肌的保护作用。五味子苷 D能明显抑制心肌异...
{"title":"Effect and mechanism of gomisin D on the isoproterenol induced myocardial injury in H9C2 cells and mice","authors":"Zi-Han Chen ,&nbsp;Yan-Xin Liu ,&nbsp;Zhi-Wei Chen ,&nbsp;Mo-Di Lin ,&nbsp;Jin-Lan Zhang ,&nbsp;Zhe Wang ,&nbsp;Hua Sun","doi":"10.1080/10286020.2024.2336152","DOIUrl":"10.1080/10286020.2024.2336152","url":null,"abstract":"<div><p>We established myocardial injury models <em>in vivo</em> and <em>in vitro</em> to investigate the cardioprotective effect of gomisin D obtained from <em>Schisandra chinensis</em>. Gomisin D significantly inhibited isoproterenol-induced apoptosis and hypertrophy in H9C2 cells. Gomisin D decreased serum BNP, ANP, CK-MB, cTn-T levels and histopathological alterations, and inhibited myocardial hypertrophy in mice. In mechanisms research, gomisin D reversed ISO-induced accumulation of intracellular ROS and Ca<sup>2+</sup>. Gomisin D further improved mitochondrial energy metabolism disorders by regulating the TCA cycle. These results demonstrated that gomisin D had a significant effect on isoproterenol-induced myocardial injury by inhibiting oxidative stress, calcium overload and improving mitochondrial energy metabolism.</p></div>","PeriodicalId":15180,"journal":{"name":"Journal of Asian Natural Products Research","volume":null,"pages":null},"PeriodicalIF":1.7,"publicationDate":"2024-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140613127","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Antibacterial lanostane triterpenoids from Ganoderma tsugae 灵芝中的抗菌羊毛甾烷三萜类化合物。
IF 1.7 3区 医学 Q2 Medicine Pub Date : 2024-05-03 DOI: 10.1080/10286020.2023.2260749
Jiang Hu , Guo-Fen Li , Feng-Ming Xu , Qiang Li , Tao Lv , Tian-Feng Peng , Si Yin , Wei Gong

A phytochemical investigation on the 80% EtOH extract of the fruiting bodies of Ganoderma tsugae resulted into the isolation of two previously undescribed lanostane triterpenoids, 7,11-dioxo-3β-acetyloxy-26,27-dihydroxy-lanosta-8,24-diene (1) and 7,20-dioxo-3β-acetyloxy-11β,15α-dihydroxy-22,23,24,25,26,27-hexanorlanosta-8-ene (2), togeher with one known lanostane triterpenoid ganodermanontriol (3). Structural elucidation of all the compounds were performed by spectral methods such as 1D and 2D (1H-1H COSY, HMQC, and HMBC) NMR spectroscopy. All the triterpenoids were in vitro evaluated for their antibacterial activities against six pathogenic microorganisms. Compound 3 exhibited some activities against three Gram positive bacteria with MIC values less than 30 μg/ml.

通过对灵芝子实体80%乙醇提取物的植物化学研究,分离出两种以前未描述的羊毛甾烷三萜,7,11-二氧-3β-乙酰氧基-26,27-二羟基-lanosta-8,24-二烯(1)和7,20-二氧-3-β-乙酰基-11β,15α-二羟基-22,23,24,25,26,27-hexanolanosta-8-ene(2),togeher与一种已知的羊毛甾烷三萜Ganodermantriol(3)。通过光谱方法如1D和2D(1H-1H COSY、HMQC和HMBC)NMR光谱对所有化合物进行结构鉴定。对所有三萜类化合物对6种病原微生物的抗菌活性进行了体外评价。化合物3对三种MIC值小于30的革兰氏阳性菌表现出一些活性 μg/ml。
{"title":"Antibacterial lanostane triterpenoids from Ganoderma tsugae","authors":"Jiang Hu ,&nbsp;Guo-Fen Li ,&nbsp;Feng-Ming Xu ,&nbsp;Qiang Li ,&nbsp;Tao Lv ,&nbsp;Tian-Feng Peng ,&nbsp;Si Yin ,&nbsp;Wei Gong","doi":"10.1080/10286020.2023.2260749","DOIUrl":"10.1080/10286020.2023.2260749","url":null,"abstract":"<div><p>A phytochemical investigation on the 80% EtOH extract of the fruiting bodies of <em>Ganoderma tsugae</em> resulted into the isolation of two previously undescribed lanostane triterpenoids, 7,11-dioxo-3<em>β</em>-acetyloxy-26,27-dihydroxy-lanosta-8,24-diene (<strong>1</strong>) and 7,20-dioxo-3<em>β</em>-acetyloxy-11<em>β,</em>15<em>α</em>-dihydroxy-22,23,24,25,26,27-hexanorlanosta-8-ene (<strong>2</strong>), togeher with one known lanostane triterpenoid ganodermanontriol (<strong>3</strong>). Structural elucidation of all the compounds were performed by spectral methods such as 1D and 2D (<sup>1</sup>H<em>-</em><sup>1</sup>H COSY, HMQC, and HMBC) NMR spectroscopy. All the triterpenoids were <em>in vitro</em> evaluated for their antibacterial activities against six pathogenic microorganisms. Compound <strong>3</strong> exhibited some activities against three Gram positive bacteria with MIC values less than 30 μg/ml.</p></div>","PeriodicalId":15180,"journal":{"name":"Journal of Asian Natural Products Research","volume":null,"pages":null},"PeriodicalIF":1.7,"publicationDate":"2024-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41144974","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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Journal of Asian Natural Products Research
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