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In-vitro and in-silico evaluation of anticancer potential of Oxalis corniculata 牛樟芝抗癌潜力的体外和体内评估
IF 1.8 Q3 PHARMACOLOGY & PHARMACY Pub Date : 2024-07-15 DOI: 10.1007/s13596-024-00777-8
Meghna Ravishankar Valakatte, Vibha Viswanath, Manasa Aithal, Prashantha Karunakar, Shanti Koppala Narayanappa

Plant secondary metabolites have been gaining significant attention as potential cancer therapeutics in recent years. In several cases, these are present in plants that are commonly found in the surrounding environment. This study explores the anticancer properties of the methanolic extract of Oxalis corniculata, a common creeper plant known to have medicinal properties. The phytochemical characterization of the extract was performed by biochemical tests and gas chromatography mass spectrometry (GCMS). Cytotoxicity studies on the HCT-116 cell line have shown that the extract can inhibit cell proliferation with an IC50 value of 119.498 µg/mL. Through molecular docking and molecular dynamics simulation, it has been observed that two constituents of the extract namely Desulphosinigrin and d-Glycero-d-ido-heptose exhibit strong and specific interactions with the caspase binding site of the X-linked inhibitor of apoptosis protein (XIAP). Thus, these compounds may be capable of inhibiting XIAP in the cellular environment, thereby promoting apoptosis, resulting in the death of cancer cells.

近年来,植物次生代谢物作为潜在的癌症治疗药物越来越受到人们的关注。在一些情况下,这些物质存在于周围环境中常见的植物中。本研究探讨了一种具有药用价值的常见匍匐植物 Oxalis corniculata 的甲醇提取物的抗癌特性。通过生化测试和气相色谱质谱法(GCMS)对提取物进行了植物化学鉴定。对 HCT-116 细胞系进行的细胞毒性研究表明,该提取物可抑制细胞增殖,IC50 值为 119.498 µg/mL。通过分子对接和分子动力学模拟,可以观察到提取物中的两种成分,即脱落磷苷和 d-缩水甘油-d-庚糖,与 X 连环凋亡抑制蛋白(XIAP)的 Caspase 结合位点有很强的特异性相互作用。因此,这些化合物可能能够抑制细胞环境中的 XIAP,从而促进细胞凋亡,导致癌细胞死亡。
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引用次数: 0
Effect of a traditional herbal formulation (Azaraghi Majoon) on opium use disorder in male rats 传统草药配方(Azaraghi Majoon)对雄性大鼠鸦片使用障碍的影响
IF 1.8 Q3 PHARMACOLOGY & PHARMACY Pub Date : 2024-07-06 DOI: 10.1007/s13596-024-00771-0
Tayyebe Tavakoli, Leila Mohammad Taghizadeh kashani, Meysam Shirzad, Mohammad Reza Memarzadeh, Ali Shamsizadeh, Ayat Kaeidi, Jalal Hassanshahi, Mahsa Hassanipour

Opium Use Disorder (OUD) has the highest rate of opioid use disorder in Iran. The present study was designed to investigate the effect of Azaraghi Majoon (AM), a traditional Persian compound, on a rat model of OUD. AM was prepared from a combination of 14 herbs plus honey, standardized by strychnine and brucine using high-performance liquid chromatography, and administered by gavage. One hundred twenty male mice were used to investigate the effect of AM on the manifestations of opium withdrawal syndrome and craving for opium. Naloxone-precipitated withdrawal signs and conditioned place preference (CPP) test were used to assess the scopes mentioned above of OUD, respectively. A modified schedule of opium dependence was used to assess physical dependence (last for eight days). 50 mg/ml/kg intraperitoneal opium and 50, 100, or 150 mg/ml/kg gavaged AM in different groups were administered in the CPP paradigm. In the CPP test, treating opium-addicted animals with AM (50 and 150 mg/kg for time and 50, 100, and 150 mg/kg for frequency) resulted in the extinction of preference for drug compartments. Also, the administration of AM decreased the number of jumping, diarrhea, rearing, and grooming following naloxone-precipitated opium withdrawal signs. As AM could improve both physical and psychological withdrawal signs of opium use disorder in rats in this study, the authors suggest consideration of clinical trials to investigate possible beneficial effects of AM in OUD patients.

在伊朗,鸦片使用障碍(OUD)是阿片类药物使用率最高的疾病。本研究旨在探讨传统波斯化合物 Azaraghi Majoon(AM)对 OUD 大鼠模型的影响。AM 由 14 种草药和蜂蜜组合而成,使用高效液相色谱法对马钱子碱和布络辛进行了标准化,并通过灌胃给药。研究人员利用120只雄性小鼠研究了AM对鸦片戒断综合征表现和鸦片渴求的影响。纳洛酮诱发的戒断症状和条件性位置偏好(CPP)试验分别用于评估上述OUD的范围。采用改良的鸦片依赖时间表来评估生理依赖(持续八天)。在CPP范式中,不同组分别腹腔注射50毫克/毫升/千克的鸦片和灌胃50、100或150毫克/毫升/千克的AM。在CPP试验中,用AM(时间为50和150毫克/千克,频率为50、100和150毫克/千克)治疗鸦片成瘾动物可使其对药物区的偏好消失。此外,服用AM还能减少纳洛酮诱发鸦片戒断症状后出现的跳跃、腹泻、饲养和梳理的次数。在这项研究中,AM 可以改善大鼠鸦片使用障碍的生理和心理戒断症状,因此作者建议考虑进行临床试验,研究 AM 对 OUD 患者可能产生的有益影响。
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引用次数: 0
Validation of the constitution in Chinese medicine questionnaires with the newly developed blood-vacuity category: a rare Taiwanese case study 用新开发的血虚类别验证中医问卷中的体质:一项罕见的台湾案例研究
IF 1.8 Q3 PHARMACOLOGY & PHARMACY Pub Date : 2024-07-01 DOI: 10.1007/s13596-024-00769-8
Ting-Yu Huang, Shi-Chen Ou, Wei-Te Huang, Yu-Chuan Lin, Hao-Hsiu Hung, Chin-Wei Chang, Kai-Yuan Hsiao, Yi-Wei Kao, Chien-Hua Wu, Wei-Shan Chang, Ben-Chang Shia, Sheng-Teng Huang

The concept of body constitution (BC) is a core notion in traditional Chinese medicine, used in diagnosis, treatment, and prevention; however, there is little standardization in terms of definitions and measurements. To improve standardization, constructive questionnaires have been developed to classify the various BC types. One of the most commonly used is the Constitution in Chinese Medicine Questionnaire (CCMQ). Despite including nine BCs, CCMQ lacks the blood-vacuity constitution, although it is often noted in clinical practice. In this study, we have modified the original CCMQ to include the blood-vacuity constitution and amended the language to better suit the Taiwan population. The revised questionnaire was given to a panel of experts to check for content validity, and then distributed to volunteers for completion. The reliability analysis, based on 512 valid questionnaires, achieved a Cronbach’s alpha value of 0.65–0.86. The content validity index scores ranged from 60 to 100. In addition, we collected demographic data from our volunteers and found that BMI, gender, exercise frequency, disease status, allergies, and psychiatric disorder status may impact the body constitution. Collectively, our study presents an expanded version of the CCMQ which includes the blood-vacuity constitution, and has been validated among the Taiwanese population. Demographic data also demonstrates possible relationships among BC, lifestyle and diseases.

体质(BC)的概念是传统中医的核心概念,用于诊断、治疗和预防;然而,在定义和测量方面几乎没有标准化。为了提高标准化程度,人们开发了一些建设性的问卷来划分不同的体质类型。其中最常用的是中医体质问卷(CCMQ)。尽管 CCMQ 包括了九种 BC,但却缺少血虚体质,尽管这在临床实践中经常被注意到。在本研究中,我们对原有的 CCMQ 进行了修改,加入了血虚体质,并对语言进行了修正,以更适合台湾人群。修订后的问卷交由专家小组进行内容效度检查,然后分发给志愿者填写。基于 512 份有效问卷的信度分析结果显示,Cronbach's alpha 值为 0.65-0.86。内容效度指数从 60 分到 100 分不等。此外,我们还收集了志愿者的人口统计学数据,发现体重指数、性别、运动频率、疾病状况、过敏症和精神障碍状况可能会影响体质。总之,我们的研究提出了一个包含血虚体质的扩展版 CCMQ,并在台湾人群中得到了验证。人口统计学数据也显示了BC、生活方式和疾病之间可能存在的关系。
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引用次数: 0
Phyto-chemical, analytical evaluation and biological attributes of rare medicinal species of flowering shrub Bauhinia racemosa L. 稀有药用花灌木洋紫荆(Bauhinia racemosa L.)的植物化学、分析评价和生物属性
IF 1.8 Q3 PHARMACOLOGY & PHARMACY Pub Date : 2024-07-01 DOI: 10.1007/s13596-024-00761-2
Mary Shamya Arokiarajan, J. John Christopher, S.A. Wasim Akram, N. Zaheer Ahmed, Rampratap Meena, K. Kabiruddin Ahmed

The current investigation compared the efficacy of an ethanol extract of B. racemosa L. leaf against standard bacterial and fungal cultures. Quantitative phytochemical analysis of Phenol, Flavonoid and Tanin was studied by the appropriate methods; Heavy metal test was done by Atomic Absorption Spectrometer; Antimicrobial activity was done by disc diffusion and agar well diffusion method; MIC through 96 well method and antioxidant assay was performed by DPPH and ABTS. Ethanol extract of B. racemosa L. showed significantly higher inhibitory effect against E. coli, S. aureus and B. cereus, and moderate antimicrobial activity against K. pneumoniae, but it was inactive on fungal strain at lower concentrations. The minimum bactericidal concentration of B. racemosa L. extract against the pathogenic bacteria tested was 1.25 mg/ml for P. aeruginosa, 2.5 mg/ml for E. coli and 5 mg/ml for B. cereus, K. pnuemoniae, and S. aureus. The extract has exhibited antioxidant activity which was evaluated by DPPH and ABTS as 61.61 ± 0.61 and 64.45 ± 0.49% of inhibition in 250 µg/ml concentration. Prominent phytochemical bioconstituents, as determined by phytochemical investigation, comprise flavonoids (8.712 ± 0.7 mg/g Rutin equivalents), tannins (2.930 ± 0.73 mg/g Tannic acid equivalents) and phenol (12.06 ± 0.25 mg/g Gallic acid equivalents) etc. Lethality experiment was performed by using brine shrimp to determine the cytotoxicity of plant extract and the substantial mortality rate observed as LC50 = 22.8435 µg/mL. The result of fluorescence analysis showed various shades of green and brown fluorescence in visible light and various shades of green, blue and brown were found under UV light. HPTLC, FTIR and GCMS were done to find out the bioactive phytocompounds.

目前的研究比较了一种乙醇提取物对标准细菌和真菌培养物的功效。采用适当的方法对酚、类黄酮和丹宁进行了植物化学定量分析;采用原子吸收光谱仪进行了重金属测试;采用盘式扩散法和琼脂井扩散法进行了抗菌活性测试;采用 96 孔法进行了 MIC 测试;采用 DPPH 和 ABTS 进行了抗氧化测试。结果表明,乙醇提取物对大肠杆菌、金黄色葡萄球菌和蜡样芽孢杆菌有较高的抑制作用,对肺炎双球菌有中等程度的抗菌活性,但在较低浓度下对真菌菌株无活性。对铜绿假单胞菌、大肠杆菌、蜡样芽胞杆菌、肺炎双球菌和金黄色葡萄球菌的最低杀菌浓度分别为 1.25 毫克/毫升、2.5 毫克/毫升和 5 毫克/毫升。经 DPPH 和 ABTS 评估,在 250 µg/ml 浓度下,提取物的抗氧化活性分别为 61.61 ± 0.61% 和 64.45 ± 0.49%。通过植物化学调查确定的主要植物化学生物成分包括类黄酮(8.712 ± 0.7 毫克/克芦丁当量)、单宁(2.930 ± 0.73 毫克/克单宁酸当量)和酚(12.06 ± 0.25 毫克/克没食子酸当量)等。使用盐水虾进行了致死实验,以确定植物提取物的细胞毒性,观察到 LC50 = 22.8435 µg/mL 的大幅死亡率。荧光分析结果表明,在可见光下,植物提取物发出深浅不同的绿色和棕色荧光;在紫外光下,植物提取物发出深浅不同的绿色、蓝色和棕色荧光。通过 HPTLC、傅立叶变换红外光谱和气相色谱联用技术,找出了具有生物活性的植物化合物。
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引用次数: 0
Correction to: Unveiling the potential antibacterial mechanism of Melaleuca cajuputi leaf extract by cell morphology studies and molecular docking analysis 更正为通过细胞形态学研究和分子对接分析揭示 Melaleuca cajuputi 叶提取物的潜在抗菌机制
IF 1.8 Q3 PHARMACOLOGY & PHARMACY Pub Date : 2024-06-24 DOI: 10.1007/s13596-024-00767-w
Musa Isah, Wan‑Nor‑Amilah Wan Abdul Wahab, Hasmah Abdullah, Shajarahtunnur Jamil, Mohd Dasuki Sul’ain, Abdullahi Ibrahim Uba, Gokhan Zengin, Dibyajit Lahiri, Hisham Atan Edinur, Wan Rosli Wan Ishak
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引用次数: 0
Larvicidal and antiplasmodial studies of Eucalyptus camaldulensis (Myrtaceae) Leaf 桉树(桃金娘科)叶的杀幼虫剂和抗疟研究
IF 1.8 Q3 PHARMACOLOGY & PHARMACY Pub Date : 2024-06-18 DOI: 10.1007/s13596-024-00765-y
Stephen A. Adesida, Samuel A. Oguntimehin, Funmilayo G. Famuyiwa, Kolade O. Faloye, Seun B. Ogundele, Oyenike I. Bello, Oluyemi J. Oladiran, Ayobami J. Olusola, Adetola H. Adewole, Praise A. Adebayo, Maryam O. Oredola

Eucalyptus camaldulensis is a medicinal plant used as insect repellant and antimalarial agent in ethnomedicine. This study examined the antiplasmodial and larvicidal potential of E. camaldulensis leaf extract and also identified the plant extract's most active fraction(s). The acute oral toxicity test of the methanol extract was evaluated using Lorke’s method. The larvicidal assay was performed on the extract and partitioned fractions according to the 2005 World Health Organization guidelines, while the 4-day chemosuppressive and curative antimalarial assays were carried out against Plasmodium bergei bergei. Endosulphan and chloroquine (10 mg/kg) was used as the positive controls for the larvicidal and antiplasmodial assays, respectively, while tween 80 in normal saline (1%) was the negative control. The methanol leaf extract of EC showed good larvicidal activity across all tested concentrations (LC50 3.79 ± 0.64 mg/mL), while the aqueous fraction with LC50 of 2.80 ± 0.14 mg/mL was the most active. Its acute toxicity test showed it was safe up to 5000 mg/kg. The extract significantly increased dose-dependent antiplasmodial activity for the chemosuppressive and curative models (p < 0.05) than the negative control. At 800 mg/kg, EC gave chemosuppressive (53.69 ± 1.62%) and curative (81.26 ± 1.87%) activities, which was significantly lower than that of 10 mg/kg chloroquine (82.00 ± 0.57% and 92.51 ± 0.22% respectively). The aqueous partitioned fraction gave the highest chemosuppression (73.84 ± 2.73%) at 80 mg/kg, which was comparable to the positive control. The methanol extract of E. camaldulensis leaf is a promising larvicidal and antimalarial agent that could proffer a solution to vector control and the prevalence of malaria.

桉树是一种药用植物,在民族医药中被用作驱虫剂和抗疟药。本研究考察了喀麦隆桉叶提取物的抗疟和杀幼虫剂潜力,并确定了该植物提取物中最具活性的部分。采用 Lorke 法评估了甲醇提取物的急性口服毒性试验。根据 2005 年世界卫生组织指南,对萃取物和分配馏分进行了杀幼虫试验,并对贝氏疟原虫进行了为期 4 天的化学抑制和治疗性抗疟试验。杀幼虫剂和抗疟药物试验分别使用内吸磷和氯喹(10 毫克/千克)作为阳性对照,而正常生理盐水(1%)中的吐温 80 则作为阴性对照。氨基甲酸乙酯的甲醇叶提取物在所有测试浓度下都显示出良好的杀幼虫活性(半数致死浓度为 3.79 ± 0.64 毫克/毫升),而水提取物的半数致死浓度为 2.80 ± 0.14 毫克/毫升,活性最高。急性毒性测试表明,该提取物在 5000 毫克/千克以下是安全的。与阴性对照组相比,该提取物在化学抑制和治疗模型中的剂量依赖性抗疟活性明显提高(p < 0.05)。在 800 毫克/千克的剂量下,氨基甲酸乙酯具有化学抑制(53.69 ± 1.62%)和治疗(81.26 ± 1.87%)活性,明显低于 10 毫克/千克氯喹(分别为 82.00 ± 0.57% 和 92.51 ± 0.22%)。在 80 毫克/千克的剂量下,水分配馏分的化学抑制率最高(73.84 ± 2.73%),与阳性对照组相当。E.camaldulensis叶片的甲醇提取物是一种很有前景的杀幼虫剂和抗疟药剂,可为病媒控制和疟疾流行提供解决方案。
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引用次数: 0
Unveiling the potential antibacterial mechanism of Melaleuca cajuputi leaf extract by cell morphology studies and molecular docking analysis 通过细胞形态学研究和分子对接分析揭示 Melaleuca cajuputi 叶提取物的潜在抗菌机制
IF 1.8 Q3 PHARMACOLOGY & PHARMACY Pub Date : 2024-06-04 DOI: 10.1007/s13596-024-00763-0
Musa Isah, Wan-Nor-Amilah Wan Abdul Wahab, Hasmah Abdullah, Shajarahtunnur Jamil, Mohd Dasuki Sul’ain, Abdullahi Ibrahim Uba, Gokhan Zengin, Dibyajit Lahiri, Hisham Atan Edinur, Wan Rosli Wan Ishak

The antimicrobial properties of the Melaleuca cajuputi plant have been documented. However, the underlying antimicrobial mechanisms remain relatively unexplored. Thus, this study aimed to investigate the antibacterial effects of M. cajuputi leaf extract against selected bacterial strains and unveil the potential antibacterial mechanisms of the most potent sub-fraction through time-kill assay, cell morphology studies, and molecular docking analysis. The fractions and sub-fractions were obtained from the methanolic extract of M. cajuputi leaf by bioassay-guided fractionation. The antibacterial activity was tested against Staphylococcus aureus, Streptococcus agalactiae, Klebsiella pneumoniae, and Escherichia coli using broth microdilution assay. The most potent sub-fraction, Melaleuca fraction 2d (MF2d), demonstrated remarkable antibacterial activity with MIC values ranging from 0.063 to 0.25 mg/mL and induced significant cellular damage against the tested bacteria. The chemical characterization of the most potent sub-fraction (MF2d) from methanolic extract of M. cajuputi leaf identified five (5) compounds with 2-isopropyl-10-methyl phenanthrene (83.09%) as the major component. In-silico molecular docking analysis revealed that all the docked ligands showed strong binding propensity towards target bacterial proteins, including DNA gyrase (PDB ID: 1ZI0), dihydropteroate synthase (PDB ID: 1AD1), and D-alanyl transferase (PDB ID: 6O93) with the binding energy ranging from − 6.0 to − 8.4 kcal/mol. The overall findings demonstrated the potential of the M. cajuputi plant as a valuable source of novel antibacterial agents.

Melaleuca cajuputi 植物的抗菌特性已有文献记载。然而,其潜在的抗菌机制相对来说仍有待探索。因此,本研究旨在通过时间致死试验、细胞形态学研究和分子对接分析,研究 M. cajuputi 叶提取物对所选细菌菌株的抗菌效果,并揭示最强亚馏分的潜在抗菌机制。通过生物测定指导下的分馏,从 M. cajuputi 叶的甲醇提取物中获得了馏分和子馏分。采用肉汤微量稀释法对金黄色葡萄球菌、无乳链球菌、肺炎克雷伯氏菌和大肠杆菌进行了抗菌活性测试。功效最强的子馏分,即白千层馏分 2d(MF2d),具有显著的抗菌活性,其 MIC 值介于 0.063 至 0.25 毫克/毫升之间,并能对受试细菌造成明显的细胞损伤。从 M. cajuputi 叶甲醇提取物中提取的最有效亚馏分(MF2d)的化学特征鉴定发现了五(5)种化合物,其中 2-异丙基-10-甲基菲(83.09%)是主要成分。硅内分子对接分析表明,所有对接配体都显示出与目标细菌蛋白的强烈结合倾向,包括 DNA 回旋酶(PDB ID:1ZI0)、二氢吡咯酸合成酶(PDB ID:1AD1)和 D-丙氨酰转移酶(PDB ID:6O93),结合能在 - 6.0 至 - 8.4 kcal/mol 之间。总体研究结果表明,M. cajuputi 植物具有作为新型抗菌剂宝贵来源的潜力。
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引用次数: 0
Survey the change of skin surface temperature at the face when using tonifying or dispersing acupuncture manipulations at dazhui acupoint in healthy volunteers 调查健康志愿者在大椎穴使用补法或散法针刺时面部皮肤表面温度的变化
IF 1.8 Q3 PHARMACOLOGY & PHARMACY Pub Date : 2024-06-03 DOI: 10.1007/s13596-024-00762-1
Dieu-Thuong Thi Trinh, Phuong-Quynh Ngoc Le, Minh-Man Pham Bui, Nguyen Lam Vuong

In addition to stimulating specific acupoints, acupuncture uses manipulations with varying effects. For Dazhui acupoint, tonifying acupuncture clears heat, while dispersing acupuncture dissipates it. This study aims to compare changes in facial skin temperature caused by these techniques in healthy volunteers. The single-blinded, randomized controlled trial involved 57 healthy volunteers aged 18–30, undergoing three sessions of acupuncture with a one-week interval. Participants were randomly assigned to three groups with different acupuncture sequences: sham-tonifying-dispersing, tonifying-dispersing-sham, and dispersing-sham-tonifying. Acupuncture sessions lasted 30 min, and facial skin temperatures were measured at five time points using a FLIR C5 thermal camera. We recorded that tonifying acupuncture at the Dazhui acupoint led to a significant increase from 34.30 °C (33.65–35.20 °C) to 35.40 °C (34.85–35.85 °C) in facial skin temperature while dispersing acupuncture led to a significant decrease from 34.90 °C (33.95–35.65 °C) to 34.00 °C (33.00–34.75 °C). Compared to the sham group, both tonifying and dispersing acupuncture showed significant differences in skin temperature. The variation in skin temperature between tonifying and dispersing acupuncture was also statistically significant. These results show that acupuncture at the Dazhui acupoint can influence facial skin temperature, establishing a relationship between this acupoint and facial physiology. Moreover, the contrasting skin temperature responses to tonifying and dispersing acupuncture techniques at Dazhui validate their distinct physiological effects.

除了刺激特定穴位外,针灸还使用具有不同效果的手法。对于大椎穴,补针可以清热,而散针可以散热。本研究旨在比较这些手法对健康志愿者面部皮肤温度的影响。这项单盲随机对照试验涉及 57 名 18-30 岁的健康志愿者,他们接受了三次针灸治疗,每次间隔一周。参与者被随机分配到三组,针刺顺序各不相同:假-补-散、补-散-咸和散-咸-补。针灸过程持续 30 分钟,使用 FLIR C5 热像仪在五个时间点测量面部皮肤温度。根据我们的记录,针刺大椎穴后,面部皮肤温度从34.30 °C(33.65-35.20 °C)显著升高至35.40 °C(34.85-35.85 °C),而针刺散寒穴后,面部皮肤温度从34.90 °C(33.95-35.65 °C)显著下降至34.00 °C(33.00-34.75 °C)。与假针刺组相比,补法和散法针刺组的皮肤温度均有显著差异。补针和散针之间的皮温差异也具有统计学意义。这些结果表明,针刺大椎穴可影响面部皮肤温度,从而确立了该穴位与面部生理之间的关系。此外,补法和散法针刺大椎穴时皮肤温度反应的对比也验证了其不同的生理效应。
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引用次数: 0
In vitro and in silico assessment of anti-cholinesterase potential of Ricinus communis L. (Euphorbiaceae): furnished with network pharmacology 大戟科植物蓖麻抗胆碱酯酶潜力的体外和硅学评估:网络药理学的应用
IF 1.8 Q3 PHARMACOLOGY & PHARMACY Pub Date : 2024-05-27 DOI: 10.1007/s13596-024-00749-y
Isaac Karimi, Layth Jasim Mohammad, Namdar Yousofvand, Jasim Mohammed Abdulhussein, Baydaa Abed Hussein

Searching for cholinesterase (ChE) inhibitory small molecules will open a new horizon to design eco-friendly antiinsectants and anti-Alzheimer’s disease agents since we encounter to drug resistance against available drugs/toxins. Here, the ChE inhibitory activity of methyl alcohol extracts of Ricinus communis L. (RC) has been investigated in vitro and its mechanism was mined computationally. The beans of RC showed anti-ChE properties for acetyl-ChE (AChE) of 65.33% and for butyryl-ChE (BChE) of 49.00%. The methyl alcohol extract of RC leaves showed lesser inhibitory effects of 27.67% for AChE than 5.67% for BChE. In silico findings showed that among phytochemicals found in RC, stigmasterol oleate, fucosterol, trachylobane, lupeol, casbene, and alpha-amyrin have a trustful binding affinity (BA) of − 12.2, − 11.9, − 10.6, − 10.4, − 10.2, and − 9.9 kcal/mol with AChE, respectively, while beta-tocopherol, beyerene and kaurene have same negative BA − 9.8 kcal/mol. Alpha-tocopherol and gamma-tocopherol showed identical BA of − 9.6 kcal/mol. In this regard, delta-tocopherol and beta-amyrin showed BA of − 9.5 (kcal/mol), therefore all phytochemicals may be considered putative binders of AChE. In this line, alpha- and beta-amyrin, lupeol, stigmasterol oleate, fucosterol, casbene, beyerene, and catechin found in RC showed greater BA of − 11.3, − 11, − 10.7, − 9.6, − 9.6, − 9.5, − 9.3, and − 9 kcal/mol while alpha-tocopherol, kaurene, and trachylobane have identical BA at − 8.8 kcal/mol, therefore, they may inhibit BChE. In sum, RC can be considered as a natural factory of anti-ChE lead-like molecules that was gifted by Mesopotamian medicine and Kurdish ethnomedicine to the modern biopharmaceuticals.

由于我们会遇到对现有药物/毒素的耐药性,因此寻找胆碱酯酶(ChE)抑制小分子将为设计环保型抗昆虫剂和抗阿尔茨海默病药物开辟一片新天地。在此,我们对蓖麻(Ricinus communis L.,RC)甲醇提取物的胆碱酯酶抑制活性进行了体外研究,并对其机理进行了计算挖掘。蓖麻豆对乙酰胆碱酯酶(AChE)的抗胆碱酯酶活性为 65.33%,对丁酰胆碱酯酶(BChE)的抗胆碱酯酶活性为 49.00%。RC 叶子的甲醇提取物对乙酰胆碱酯酶(AChE)的抑制率为 27.67%,对丁酰胆碱酯酶(BChE)的抑制率为 5.67%。硅学研究结果表明,在 RC 中发现的植物化学物质中,豆固醇油酸酯、褐藻甾醇、三羟甲基氨基甲烷、羽扇豆醇、卡丝烯和 alpha-amyrin 与 AChE 的可信结合亲和力(BA)分别为 - 12.2、 - 11.9、 - 10.6、 - 10.4、 - 10.2 和 - 9.9 千卡/摩尔,而 beta-生育酚、贝烯和高岭烯与 AChE 的负结合亲和力(BA)同样为 - 9.8 千卡/摩尔。α-生育酚和γ-生育酚的负 BA 值相同,均为-9.6 kcal/mol。在这方面,δ-生育酚和β-amyrin 的 BA 值为-9.5(kcal/mol),因此所有植物化学物质都可被视为 AChE 的推定结合剂。在此基础上,RC 中的α-和β-阿米林、羽扇豆醇、豆甾醇油酸酯、褐藻甾醇、卡西烯、贝瑞烯和儿茶素的 BA 值分别为-11.3、-11、-10.7、-9.6、-9.6、-9.5、-9.3 和-9 kcal/mol,而α-生育酚、高岭烯和三羟甲基氨基甲烷的 BA 值相同,均为-8.8 kcal/mol,因此它们可能会抑制 BChE。总之,RC 可被视为美索不达米亚医学和库尔德民族医学为现代生物制药提供的抗胆碱酯酶铅样分子的天然工厂。
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引用次数: 0
Deciphering the historical tapestry of medicinal plants and remedies in Brazil: an analysis of sales records from the Botica Real between 1806 and 1818 解密巴西药用植物和药方的历史织锦:对 1806 至 1818 年间皇家植物园销售记录的分析
IF 1.8 Q3 PHARMACOLOGY & PHARMACY Pub Date : 2024-05-27 DOI: 10.1007/s13596-024-00759-w
Leonardo de Souza Carvalho, Lorraynne Oliveira de Souza, Ygor Jessé Ramos, Nina Cláudia Barboza da Silva

This study aims to explore previously overlooked facets of the commercialization and utilization of medicinal plants and their derivatives in the "Botica Real" (Royal Apothecary) from 1806 to 1818. Using primary sources from the National Library of Brazil, the National Archives, the Brazilian Historical and Geographic Institute, and online newspaper libraries, a thorough document analysis was conducted. Key documents include the "Regimento dos preços dos medicamentos símplices, preparados e compostos", lists of shipments from the “Botica Real” in Minas Gerais and Rio de Janeiro (Brazilian states), "Post-mortem Inventories" of merchants, and the "Pharmacopoeia Geral para o Reino e Domínios de Portugal". The examination of these documents unveiled terms related to medicinal species, their scientific names, parts used, and application methods. These terms were categorized by their origin (animal, vegetable, or mineral), with a particular focus on plant species, where botanical nomenclature was updated. The research highlighted an evolution in the number of terms associated with medicinal plants, increasing from 219 in 1806 to 303 in 1818, with a total of 156 identified species across 58 botanical families. Notably, Lamiaceae had 15 species, followed by Asteraceae (14) and Fabaceae (12). Exotic species constituted 85%, while naturalized and native Brazilian species comprised 9% and 5%, respectively. The study documented various pharmaceutical preparations, predominantly in solid, liquid, and semi-solid forms, with spirits, elixirs, and solutions being the most common, along with tinctures, fluid extracts, and compounded powders. This historical survey not only sheds light on past pharmaceutical practices with medicinal plants but also offers valuable insights for contemporary phytotherapy.

Graphical abstract

本研究旨在探讨 1806 年至 1818 年期间 "皇家药房"(Botica Real)中药用植物及其衍生物的商业化和利用方面以前被忽视的问题。利用巴西国家图书馆、国家档案馆、巴西历史和地理研究所以及在线报纸图书馆的原始资料,进行了全面的文献分析。主要文件包括 "Regimento dos preços dos medicamentos símplices, preparados e compostos"、巴西米纳斯吉拉斯州和里约热内卢州 "Botica Real "的货物清单、商人的 "死后清单 "以及 "Pharmacopoeia Geral para o Reino e Domínios de Portugal"。对这些文献的研究揭示了与药用物种、其学名、使用部位和应用方法有关的术语。这些术语按其来源(动物、植物或矿物)进行了分类,尤其侧重于植物物种,其中植物学术语得到了更新。研究强调了与药用植物相关的术语数量的演变,从 1806 年的 219 个增加到 1818 年的 303 个,58 个植物科中共有 156 个已确定的物种。值得注意的是,唇形科有 15 个物种,其次是菊科(14 个)和豆科(12 个)。外来物种占 85%,归化物种和巴西本地物种分别占 9% 和 5%。研究记录了各种药物制剂,主要以固体、液体和半固体形式存在,其中最常见的是烈性酒、酏剂和溶液,此外还有酊剂、液体提取物和复方粉末。这项历史调查不仅揭示了过去药用植物的制药方法,还为当代植物疗法提供了宝贵的启示。
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Advances in Traditional Medicine
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