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Characterization and molecular docking studies of Erucic acid 芥酸的特性和分子对接研究
Pub Date : 2024-02-29 DOI: 10.55522/jmpas.v13i1.5486
Bhawna Sharma
Neuro degenerative diseases (NDs) are a wide range of neurological conditions characterized by the deterioration of neurons, glial cells, synapses, and other networks. Parkinson’s disease is one of the second most common neuro degenerative disorders after Alzheimer’s disease. Erucic acid, an omega-9 monounsaturated fatty acid, was reported to be commonly present in mustard oil. Erucic acid was also reported to have neuro protective and antioxidant benefits in a number of pre-clinical trials conducted in the past. In the present study, erucic acid, linoleic acid, and Riluzole were evaluated using a molecular docking-based technique based on their binding affinities and other physico-chemical characteristics of the compounds. PYRX 0.8 was used for molecular docking between ligands and the various antioxidant and neurotransmitter-associated proteins, and Discovery Studio Visualizer 2020 was used to create the visualization. Additionally, Lipinski's rule of five was used to forecast whether these compounds would be drug-like. Further absorption, distribution, metabolism, excretion, and Toxicity (ADME-T) profile of the compounds were studied using the pkCSM tool. According to drug-likeness analysis, all of the compounds i.e. erucic acid, linoleic acid, and Riluzole fell within Lipinski's rule of five's acceptable range. The docking studies implied that erucic acid might have anti-parkinsonian effects by binding to molecular targets superoxide dismutase (SOD1) enzyme protein i.e. 5YTU and to 5-Hydroxytrytamine (5H2TC) receptor protein i.e. 6BQH when compared to Riluzole along with good ADME-T properties. However, more research is needed to evaluate the efficacy of erucic acid against additional targets of Parkinson’s disease and other neuro degenerative illnesses.
神经退行性疾病(NDs)是以神经元、神经胶质细胞、突触和其他网络退化为特征的一系列神经系统疾病。帕金森病是仅次于阿尔茨海默病的第二大常见神经变性疾病。芥末酸是一种欧米加-9 单不饱和脂肪酸,据报道通常存在于芥末油中。在过去进行的一些临床前试验中,芥子油酸也被报道具有神经保护和抗氧化作用。在本研究中,根据芥酸、亚油酸和利鲁唑的结合亲和力及其他物理化学特征,采用分子对接技术对它们进行了评估。PYRX 0.8 用于配体与各种抗氧化剂和神经递质相关蛋白之间的分子对接,Discovery Studio Visualizer 2020 用于创建可视化。此外,还使用了利平斯基五则预测这些化合物是否会类似于药物。使用 pkCSM 工具进一步研究了化合物的吸收、分布、代谢、排泄和毒性(ADME-T)特征。根据药物相似性分析,所有化合物(即芥酸、亚油酸和利鲁唑)都在利平斯基五法则的可接受范围内。对接研究表明,与利鲁唑相比,芥酸与分子靶标超氧化物歧化酶(SOD1)酶蛋白(即 5YTU)和 5-羟色胺(5H2TC)受体蛋白(即 6BQH)结合,可能具有抗帕金森病的作用,同时还具有良好的 ADME-T 特性。不过,还需要进行更多的研究,以评估芥酸对帕金森病和其他神经退行性疾病的其他靶点的疗效。
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引用次数: 0
Comparative morpho-anatomical studies of Albizia lebbeck (L.) Benth and in vitro micro propagated plantlets 本氏白兰地(Albizia lebbeck (L.) Benth)与体外微型繁殖小植株的形态解剖学比较研究
Pub Date : 2024-02-29 DOI: 10.55522/jmpas.v13i1.5928
Md. Nazneen Bobby
The current investigation was characterizing the pharmacognostical screening of the mother plant Albizia lebbeck and its in vitro propagated plantlets. The macroscopic analysis showed the presence of various parts of the plants and the anatomical studies revealed the presence of paracytic stomata of equal subsidiary cells; dendroid vein terminations; Thick–walled epidermal cells and parenchymatous ground tissue; cuticular projections with striations in the epidermal cells of a leaf; smaller vascular bundles with lateral veins; thick-walled bundle sheath fibers with thick vascular strands; irregularly lobed sclereids and tannin cells in the upper epidermis of lamina; druse idioblasts in the mesophyll of the leaf; accessory vascular bundles in the petiole were observed in the mother plant, which was compared with the in-vitro micro propagated plantlet with the presence of thick and wide midrib with lamina; Thick leaf margin with thin Phloem; short xylem; vascular showed reduced in size; Reduce palisade tissue; Thick and compact parenchyma; Squamish and papillate epidermal cells were observed in epidermal and stromata region. The current studies contribute as a standard monograph for the identification and evaluation of plants.
目前的调查是对母株 Albizia lebbeck 及其体外繁殖的小植株进行药理筛选。宏观分析显示了植物的各个部分,而解剖学研究则显示了由等量附属细胞组成的旁生气孔、树枝状叶脉末端、厚壁表皮细胞和实质地层组织的存在;叶片表皮细胞中带有条纹的角质突起;带有侧脉的较小的维管束;带有粗维管束的厚壁束鞘纤维;叶片上表皮中的不规则裂片鞘状细胞和单宁细胞;与体外显微繁殖的小植株相比,母株中叶脉粗而宽;叶缘厚,叶绿素薄;木质部短;维管束缩小;栅栏组织减少;实质层厚而紧密;在表皮和基质区观察到鳞片状和乳头状表皮细胞。目前的研究为鉴定和评估植物的标准专著做出了贡献。
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引用次数: 0
In-silico approach: predictive ADME/T properties and ACE inhibitory action of isolated compounds of Aspidopterys sps 硅学方法:鳞翅目蝙蝠分离化合物的 ADME/T 性能预测和 ACE 抑制作用
Pub Date : 2024-02-29 DOI: 10.55522/jmpas.v13i1.5903
Udaya Chandrika P
The current research study aimed to study Isolated phytocompounds of Aspidopterys sps (A. indica and A.cordata) by invitro antihypertensive activity, in-silico molecular docking, and ADME/T analysis. The preceding reports had revealed a fact of polyphenols and triterpenoids have an ability to control blood pressure by inhibition of Angiotensin converting enzyme (ACE). The isolated ligands Catechin, Isoorientin, Fisetin, and Ursolic acid (A , B, C and D) tested for ACE inhibition, docked with target Human Angiotensin-converting enzyme employing Autodock 4.2, drug-likeliness, physicochemical nature, toxicity prediction by Swiss ADME, ProTox tools available online. All phytoconstituents showed optimistic dose-responsive inhibition, Compounds exhibited magnificent IC50 (15.38 ± 0.53) μg/ml, B (20.21± 0.34 μg/ml), C (17.62 ± 0.78 μg/ml), D (23.98 ± 0.65 μg/ml), Captopril (15.86±0.32 μg/ml). Molecule A showed utmost binding energy (-7.3 K.cal/mol) significant alignment with target protein and good interactions compared to Captopril (-6.7) and Lisinopril (-7.38 K.cal/mol). Prediction of ADME/T and ligands showed good pharmacokinetic properties characterized by high absorption in the gastrointestinal tract, oral bioavailability, and minimal toxicity and high binding energies, so these bioactive compounds could be further explored as possible antihypertensive drugs.
本研究旨在通过体外抗高血压活性、in-silico 分子对接和 ADME/T 分析来研究鳞翅目蝶形花(A. indica 和 A.cordata)的分离植物化合物。之前的报告揭示了一种事实,即多酚和三萜类化合物能够通过抑制血管紧张素转换酶(ACE)来控制血压。对分离出的配体儿茶素、异连翘素、鱼腥草素和熊果酸(A、B、C 和 D)进行了抑制血管紧张素转换酶的测试,并利用 Autodock 4.2、药物亲和性、理化性质、瑞士 ADME 和 ProTox 工具预测毒性与目标人体血管紧张素转换酶进行了对接。所有植物成分都表现出乐观的剂量反应抑制作用,化合物的 IC50(15.38 ± 0.53)μg/ml、B(20.21± 0.34 μg/ml)、C(17.62± 0.78 μg/ml)、D(23.98± 0.65 μg/ml)、卡托普利(15.86±0.32 μg/ml)表现出极高的 IC50。与卡托普利(-6.7)和利辛普利(-7.38 K.cal/mol)相比,分子 A 与靶蛋白的结合能最高(-7.3 K.cal/mol),与靶蛋白的配位明显,相互作用良好。ADME/T和配体的预测结果表明,这些生物活性化合物具有良好的药代动力学特性,其特点是胃肠道吸收率高、口服生物利用度高、毒性小且结合能高,因此这些生物活性化合物可作为可能的抗高血压药物进行进一步研究。
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引用次数: 0
Comparison of infusions of phenylephrine, norepinephrine, and mephentermine on maternal hemodynamics and neonatal outcomes in caesarean section under spinal anaesthesia 脊髓麻醉下剖腹产术中输注苯肾上腺素、去甲肾上腺素和美芬丁胺对产妇血流动力学和新生儿预后的影响比较
Pub Date : 2024-02-29 DOI: 10.55522/jmpas.v13i1.5919
Laxman K Senapati
Although the subarachnoid block is the preferred anesthetic technique for the caesarean section, on the downside it is often associated with complications like maternal hypotension. We compared phenylephrine, norepinephrine, and mephentermine infusions to maintain blood pressure during the caesarian section under subarachnoid block. Our study included 240 parturients with singleton-term pregnancies undergoing a caesarian section under spinal anesthesia. Following spinal anesthesia till the delivery of the baby, parturients randomly assigned to three groups received phenylephrine, norepinephrine, and mephentermine infusions.Heart rate, blood pressure, intra-operative nausea and vomiting, neonatal Apgar score, and total rescue vasopressors required were analyzed. Except at 4 min (p=0.006), ANOVA revealed no statistically significant difference in systolic blood pressure between the groups across all time points. Systolic blood pressure showed a significant difference between the mephentermine group versus the phenylephrine group (p=0.013) and the norepinephrine group versus the phenylephrine group (p=0.022) at four minutes post hoc Bonferroni. Except at 15 and 60 minutes (p=0.02 and p=0.001, Refer This Article Amit Pradhan, Rasulata Swain, Priyadarsini Samanta, Laxman K Senapati, Ganesh C Satapathy, 2024. Comparison of infusions of phenylephrine, norepinephrine, and Mephentermine on maternal hemodynamics and neonatal outcomes in caesarean section under spinal anaesthesia. . Journal of medical pharmaceutical and allied sciences, V 13 - I 1, Pages- 6392 – 6400. Doi: https://doi.org/10.55522/jmpas.V13I1.5919.respectively), the mean heart rate was comparable among the three groups. The Chi-square test revealed no statistically significant difference in the requirement of rescue drugs among the groups (ϰ2=1.57, p=0.45) except at the time point of 4 minutes (p=0.01) when the highest requirement was observed in the phenylephrine group. The Apgar scores amongst the groups were comparable at 1 min (p=0.99) and 5 min (p=0.98). In the lower segment caesarian section under the subarachnoid block, infusions of phenylephrine, norepinephrine, and mephentermine were equally effective in managing maternal hypotension and achieving favorable neonatal outcomes.
虽然蛛网膜下腔阻滞是剖腹产的首选麻醉技术,但其缺点是经常会引起产妇低血压等并发症。我们比较了在蛛网膜下腔阻滞下进行剖腹产时输注苯肾上腺素、去甲肾上腺素和美芬丁胺以维持血压的情况。我们的研究包括 240 名在脊髓麻醉下进行剖腹产手术的单胎足月孕妇。研究分析了心率、血压、术中恶心和呕吐、新生儿Apgar评分以及所需的抢救性血管加压剂总量。方差分析显示,除 4 分钟(P=0.006)外,各组间收缩压在所有时间点的差异均无统计学意义。在 4 分钟时,收缩压在美芬特明组与苯肾上腺素组(P=0.013)和去甲肾上腺素组与苯肾上腺素组(P=0.022)之间存在显著差异,并进行了 Bonferroni 检验。除了在 15 分钟和 60 分钟时(P=0.02 和 P=0.001,参考本文 Amit Pradhan、Rasulata Swain、Priyadarsini Samanta、Laxman K Senapati、Ganesh C Satapathy,2024 年),苯肾上腺素组与去甲肾上腺素组相比(P=0.013),去甲肾上腺素组与苯肾上腺素组相比(P=0.022)。在脊髓麻醉下剖腹产时输注苯肾上腺素、去甲肾上腺素和美芬丁胺对产妇血流动力学和新生儿预后的影响比较。.Journal of medical pharmaceutical and allied sciences, V 13 - I 1, Pages- 6392 - 6400.Doi:https://doi.org/10.55522/jmpas.V13I1.5919.respectively),三组的平均心率相当。卡方检验显示,除了在 4 分钟(p=0.01)时,苯肾上腺素组对抢救药物的需求量最高外,其他各组对抢救药物的需求量在统计学上无显著差异(ϰ2=1.57,p=0.45)。各组在 1 分钟(p=0.99)和 5 分钟(p=0.98)时的 Apgar 评分相当。在蛛网膜下腔阻滞的下段剖腹产中,输注苯肾上腺素、去甲肾上腺素和美芬丁胺对控制产妇低血压和获得良好的新生儿预后同样有效。
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引用次数: 0
Osseo-densification for preservation and compaction of alveolar bone in enhancing stability of dental implants: A systematic review 牙槽骨骨质增生用于保护和压实牙槽骨,以增强牙科植入物的稳定性:系统综述
Pub Date : 2024-02-29 DOI: 10.55522/jmpas.v13i1.5741
Arshad Jamal Sayed
A higher implant failure rate may be associated with a lack of primary stability. Primary stability is a stationary, entirely mechanical parameter that determines when an implant is placed. Several methods have been developed to improve the primary implant's level of stability. However, Osseo-densification (OD) is a revolutionary implant preparation approach that addresses these issues and enhances the main stability of implants inserted into low-density bones. In light of this, the present systematic review was conducted to understand the Osseo-densification for preservation and compaction of alveolar bone in enhancing the stability of the dental implant. Research papers from PubMed, CINAHL, Web of Science, and Web of Science, Medline searched. The most recent literature suggests that using the Osseo-densification drilling protocol increases the overall value of implant insertion torque and, consequently, increases the primary stability of implants. To evaluate the caliber of the contained research, CARE, ARRIVE, and modified CONSORT checklists were employed. 133 full texts were chosen for further investigation after duplicates were removed and titles and abstracts were reviewed of these, 27 entire texts met the inclusion criteria. The thorough literature search identified 6 Case Studies & Case Series, 11 in vivo animal studies, and ten /experimental animal studies that noted the use of the Osseo-densification technique. The data from most recent animal in vivo/in vitro studies and case reports / case series suggest that Osseo-densification drilling protocol increases the overall value of implant insertion torque and, as a result, increases implant primary stability.
种植体失败率较高可能与缺乏初级稳定性有关。基底稳定性是一个固定的、完全机械的参数,它决定了何时植入种植体。目前已开发出多种方法来提高种植体的初次稳定性。然而,骨质致密化(OD)是一种革命性的种植体制备方法,它可以解决这些问题,并增强植入低密度骨骼的种植体的主要稳定性。有鉴于此,本系统性综述旨在了解 Osseo-densification(骨密度调整)在保护和压实牙槽骨以增强牙科植入物稳定性方面的作用。研究论文来自 PubMed、CINAHL、Web of Science 和 Web of Science、Medline。最新的文献表明,使用 Osseo 增密钻孔方案可以增加种植体插入扭矩的总体值,从而提高种植体的主要稳定性。为了评估所含研究的质量,我们采用了 CARE、ARRIVE 和修改后的 CONSORT 检查表。在剔除重复文献、审阅标题和摘要后,我们选择了 133 篇全文进行进一步调查,其中 27 篇全文符合纳入标准。通过全面的文献检索,确定了 6 项病例研究和病例系列研究、11 项体内动物研究和 10 项实验动物研究,这些研究都提到了 Osseo 骨密度技术的使用。最新的体内/体外动物研究和病例报告/病例系列的数据表明,Osseo-致密化钻孔方案可以增加种植体插入扭矩的总体值,从而增加种植体的初期稳定性。
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引用次数: 0
Classification of celiac disease using novel approach of three-level DWT decomposition and linear support vector machine 利用三级 DWT 分解和线性支持向量机的新方法对乳糜泻进行分类
Pub Date : 2024-02-29 DOI: 10.55522/jmpas.v13i1.6039
Nisha Ms
In the medical field, the requirement for automated medical diagnosis software has risen as the application uses machine learning to facilitate health analysis from different data points from a patient comparing it with massive amounts of medical data to diagnose and prevent disease. The automated system can run multiple tests simultaneously and thus resulting to faster turnaround time and enables timely patient care along with higher accuracy and reliability. The irregularities in the small intestine villi’s structure cause various autoimmune disorders. So, this work aims to find a novel technique for the feature extraction of upper endoscopy images of celiac disease. We employed CLAHE (Contrast Limited Adaptive Histogram Equalization) for the preprocessing step and the Sobel operator with gradient magnitude for the segmentation of the enhanced image. In this manuscript, we have proposed a novel approach by calculating texture features through gray level co-occurrence matrix and frequency analysis using 3-level discrete wavelet transform decomposition on endoscopy images that renders novelty to the work. Thereafter, linear SVM (support vector machine) with PCA (Principal Component Analysis) is used for classification. The ensemble approach attains accuracy, sensitivity, and specificity of 78.49 %, 90.32 %, and 77.27% respectively. The outcomes achieved with the suggested approach are compared with some state-of-the-art methods using the same dataset. The results are promising due to high sensitivity for the treatment of untreated celiac disease and can prove boom to the medical industry by assisting clinicians to diagnose the disease at an early stage.
在医疗领域,对自动医疗诊断软件的要求不断提高,因为该应用软件利用机器学习技术,将病人的不同数据点与海量医疗数据进行比较,以促进健康分析,从而诊断和预防疾病。自动化系统可以同时进行多项测试,因此周转时间更快,病人得到及时护理,准确性和可靠性更高。小肠绒毛结构不规则会导致各种自身免疫性疾病。因此,这项工作旨在为乳糜泻的上内窥镜图像特征提取找到一种新技术。我们在预处理步骤中采用了 CLAHE(对比度受限自适应直方图均衡化)技术,并使用带有梯度幅度的 Sobel 算子对增强图像进行分割。在本手稿中,我们提出了一种新方法,通过灰度级共现矩阵和频率分析计算纹理特征,并使用 3 级离散小波变换对内窥镜图像进行分解,从而为这项工作增添了新意。之后,使用线性 SVM(支持向量机)和 PCA(主成分分析)进行分类。组合方法的准确率、灵敏度和特异性分别达到 78.49%、90.32% 和 77.27%。使用相同的数据集,将所建议的方法取得的结果与一些最先进的方法进行了比较。由于对治疗未经治疗的乳糜泻具有较高的灵敏度,这些结果很有希望,并能帮助临床医生在早期阶段诊断疾病,从而为医疗行业带来繁荣。
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引用次数: 0
In-vitro evaluation of Epherda Foemenia for anti-oxidant and anti-cancer properties Epherda Foemenia 抗氧化和抗癌特性的体外评估
Pub Date : 2024-02-29 DOI: 10.55522/jmpas.v13i1.5767
Kamal Eldin Ahmed Abdelsalam
Ephedra foeminea has been increasingly recognized for its anti-cancer properties. The current study evaluated the anti-oxidant and anti-cancer activities of the methanol extract of E. foeminea (EFME). The extract was evaluated for cytotoxic effects against mouse breast cancer 4T1 cells, and camptothecin was used as a standard anti-cancer drug for comparison. The anti-oxidant activity was determined by the 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging effect while the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-2H-tetrazolium bromide (MTT) assay, cell invasion assay, scratch assay and cell cycle analysis were used for evaluation of its anti-cancer potential. In the MTT assay on 4T1 cells, viability was preserved at ≥86% when treated at 12.5 μg/ml, with an IC50 concentration of 40.09 μg/ml. Further, the extract increased the cell invasion in the invasion assay, while a reduced cell migration was observed in the scratch assay. Cell cycle analysis using flow cytometry demonstrated a good anti-cancer effect of EFME with cell cycle arrest in the G2/M phase. Moreover, a remarkable anti-oxidant effect was observed in the DPPH assay. These findings indicated the EFME exhibits significant anti-cancer, and anti-oxidant properties but the effects were observed at a higher concentration of 40.09 μg/ml.
麻黄的抗癌特性日益得到认可。本研究评估了麻黄的甲醇提取物(EFME)的抗氧化和抗癌活性。研究评估了该提取物对小鼠乳腺癌 4T1 细胞的细胞毒性作用,并将喜树碱作为标准抗癌药物进行比较。抗氧化活性通过 2,2-二苯基-1-苦基肼(DPPH)自由基清除效果进行测定,而 3-(4,5-二甲基噻唑-2-基)-2,5-二苯基-2H-溴化四氮唑(MTT)试验、细胞侵袭试验、划痕试验和细胞周期分析则用于评估其抗癌潜力。在 4T1 细胞的 MTT 试验中,当处理浓度为 12.5 μg/ml 时,细胞存活率≥86%,IC50 浓度为 40.09 μg/ml。此外,在侵袭试验中,提取物增加了细胞的侵袭,而在划痕试验中则减少了细胞的迁移。使用流式细胞仪进行的细胞周期分析表明,EFME 具有良好的抗癌效果,细胞周期停滞在 G2/M 期。此外,在 DPPH 试验中也观察到了明显的抗氧化作用。这些研究结果表明,EFME 具有显著的抗癌和抗氧化特性,但在浓度为 40.09 μg/ml 时才能观察到这种效应。
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引用次数: 0
Antioxidant and α-Glucosidase inhibitory activity of various solvent fractions from Amaranthus viridis L., Amaranthus tricolor L., and Amaranthus spinosus L. 苋菜、三色苋和刺苋中各种溶剂馏分的抗氧化性和α-葡萄糖苷酶抑制活性
Pub Date : 2024-02-29 DOI: 10.55522/jmpas.v13i1.5986
Bich Ngoc Giau Lu
Amaranthus tricolor L., Amaranthus spinosus L., and Amaranthus viridis L. are well-known for flavoring food products and traditional medicine. This study investigated the antioxidant and α-glucosidase inhibitory activity of various solvent fractions from the whole plant of A. tricolor, A. spinosus, and A. viridis in Vietnam. The total extract and solvent fractions of petroleum ether (PE), chloroform (CF), ethyl acetate (EA), n-butanol (B), and water (W) were tested for antioxidant activity using the DPPH assay and α-glucosidase inhibition. The results showed that the three species of Amaranthus had relatively low antioxidant activity, and the total extract of A. spinosus L. had the highest antioxidant activity with an IC50 value of 324.96 μg/mL. The EA fraction of A. tricolor had outstanding α-glucosidase inhibitory activity with an IC50 value of 95.94 μg/mL. It is recommended to continue isolation research to find active ingredients with α-glucosidase inhibition potential in the EA extract of A. tricolor. Additionally, an in vivo assay might be conducted to evaluate the activity and toxicity of this EA fraction.
三色苋(Amaranthus tricolor L.)、旋花苋(Amaranthus spinosus L.)和病毒苋(Amaranthus viridis L.)是著名的调味食品和传统药物。本研究调查了越南三色苋、旋花苋和病毒苋全草中各种溶剂馏分的抗氧化和α-葡萄糖苷酶抑制活性。采用 DPPH 法和α-葡萄糖苷酶抑制法测试了总提取物和石油醚(PE)、氯仿(CF)、乙酸乙酯(EA)、正丁醇(B)和水(W)等溶剂馏分的抗氧化活性。结果表明,这三种马齿苋的抗氧化活性相对较低,其中 A. spinosus L. 的总提取物的抗氧化活性最高,IC50 值为 324.96 μg/mL。A.tricolor的EA部分具有突出的α-葡萄糖苷酶抑制活性,IC50值为95.94 μg/mL。建议继续进行分离研究,以寻找三色金莲花 EA 提取物中具有α-葡萄糖苷酶抑制潜力的活性成分。此外,还可以进行体内试验,以评估这种 EA 提取物的活性和毒性。
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引用次数: 0
Network ethnopharmacological and molecular docking based evaluation of the anti-breast cancer activity for ayurvedic botanicals acting on hypoxia-inducible factor-1 基于民族药理学和分子对接的阿育吠陀植物药对低氧诱导因子-1 抗乳腺癌活性的评估
Pub Date : 2024-02-29 DOI: 10.55522/jmpas.v13i1.5888
N. Bhatia
The recognized root causes of breast cancer aggressiveness, resistance to therapy, and poor prognosis encompass hypoxia-inducible factors (HIFs), the HIF-dependent cancer hallmarks angiogenesis and metabolic reconfiguration.There is enough evidence to suggest that HIF is involved in the progression of breast cancer.Information for the network was gathered from the following databases: Dr. Duke's, IMPPAT, PubChem, Binding DB, UniProt, and DisGeNET. The network was created using the Cytoscapeprogramme. Screened bioactives having similarity index more than 0.6 from polypharmacology approach were subjected to docking studies with HIF-1 (PDB ID: 1H2K) with PyRx software and the ligands with good docking score was further explored for molecular docking interaction analysis. The number of bioactives having interaction with HIF-1, equal to or greater than 0.6 from Ashwagandh, Shatavari, Neem, Alsi seeds, Methi, Haldi, Ghritkumari, Yashtimadhu, and KadiPatta was 12, 9, 2, 6, 12, 11, 5, 10, and 3, respectively. On performing the docking against the target HIF-1for top molecules with Araboglycyrrhizin (-10.1kcal/mol), Asparanin-A (-9.2 kcal/mol), Shatavarin-I (-9.2 kcal/mol), Shatavarin-X (-9.1 kcal/mol), Somniferanolide (-9.1 kcal/mol), Somniferawithanolide (-9.7 kcal/mol), Trigofoenoside-A (-9.2 kcal/mol), Trigofoenoside-F (-9.4 kcal/mol), Trillin (-9.9 kcal/mol), and Withanolide (-9.2 kcal/mol), the binding energies and molecular interactions of the ligands were fairly good as compared with standard synthetic ligand Acriflavine (-7.6 kcal/mol). The study elucidated an in silico molecular mechanism of HIF-1 inhibition by various bioactive phytoconstituents from selected plants. Comprehending the logic behind anti-breast cancer action was made easier with the help of experimental evidence of the network findings.
公认的乳腺癌侵袭性、抗药性和预后不良的根本原因包括缺氧诱导因子 (HIF)、HIF 依赖性癌症标志物血管生成和代谢重构:网络信息来自以下数据库:Dr. Duke's、IMPPAT、PubChem、Binding DB、UniProt 和 DisGeNET。网络使用 Cytoscapeprogramme 创建。利用 PyRx 软件对多药理学方法筛选出的相似性指数大于 0.6 的生物活性物质与 HIF-1(PDB ID:1H2K)进行了对接研究,并进一步对对接得分较高的配体进行了分子对接相互作用分析。在 Ashwagandh、Shatavari、Neem、Alsi seeds、Methi、Haldi、Ghritkumari、Yashtimadhu 和 KadiPatta 中,与 HIF-1 的相互作用大于等于 0.6 的生物活性物质的数量分别为 12、9、2、6、12、11、5、10 和 3。在与目标 HIF-1 进行对接时,顶级分子为:Araboglycyrrhizin(-10.1 kcal/mol)、Asparanin-A(-9.2 kcal/mol)、Shatavarin-I(-9.2 kcal/mol)、Shatavarin-X(-9.1 kcal/mol)、Somniferanolide(-9.1 kcal/mol)、Somniferawithanolide(-9.7 kcal/mol)、川芎苷-A(-9.2 kcal/mol)、川芎苷-F(-9.4 kcal/mol)、川芎嗪(-9.9 kcal/mol)和 Withanolide(-9.2 kcal/mol),这些配体的结合能和分子相互作用与标准合成配体醋黄素(-7.6 kcal/mol)相比相当好。研究阐明了从选定植物中提取的各种生物活性植物成分抑制 HIF-1 的硅学分子机制。在网络发现的实验证据的帮助下,理解抗乳腺癌作用背后的逻辑变得更加容易。
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引用次数: 0
Formulation of nano spray preparation from Purslane Leaf Extract (Portulaca oleracea l.) as sunscreen 马齿苋叶提取物纳米喷雾制剂作为防晒剂的配方
Pub Date : 2024-02-29 DOI: 10.55522/jmpas.v13i1.5890
Elmiawati Latifah
Purslane plant (Portulaca oleracea L.) is a type of wild plant that grows abundantly, but its benefits are rarely known. Purslane contains saponins, which have high antioxidant and biological activity. Skin that is sensitive to sun exposure is the issue this nanospray is targeting. The aim of this research is to determine the optimal formulation of herbal nanospray products with Purslane sunscreen to treat skin problems caused by sun exposure. The research method used was an experimental method with research stages starting from plant determination, extract making, nanospray formulation determination, preparation evaluation, in vivo UV protection activity test, and in vitro SPF test. Quantitative descriptive analysis was carried out using Microsoft Excel and SPSS Version 24. There were significant differences in erythema (lesions on the skin) between the 4 treatment groups, with significant differences in the negative control and positive control groups, as well as the group given dose treatment (the amount of extract in the nanoparticles) of 0.8 g and 0.4 g of purslane extract with the negative control. So, it can be concluded that doses of 0.8 g (SPF value: 9.9) and 0.4 g (SPF value: 8.43) of purslane extract have the potential to be sunscreens with maximum category and extra protective power. Purslane extract nanospray sunscreen has the advantage of being made from herbal ingredients, which have less potential for irritation than chemical sunscreen products.
马齿苋(Portulaca oleracea L.)是一种生长茂盛的野生植物,但其功效却鲜为人知。马齿苋含有皂甙,具有很高的抗氧化性和生物活性。对阳光照射敏感的皮肤正是这种纳米喷雾剂所针对的问题。本研究的目的是确定含有马齿苋防晒剂的中草药纳米喷雾产品的最佳配方,以治疗日晒引起的皮肤问题。采用的研究方法是实验法,研究阶段从植物确定、提取物制作、纳米喷雾配方确定、制剂评估、体内紫外线防护活性测试和体外 SPF 测试开始。使用 Microsoft Excel 和 SPSS Version 24 进行了定量描述性分析。4 个处理组之间的红斑(皮肤上的病变)存在明显差异,阴性对照组和阳性对照组以及给予 0.8 克和 0.4 克马齿苋提取物剂量处理(纳米颗粒中的提取物量)的组与阴性对照组之间存在明显差异。因此,可以得出结论,0.8 克(SPF 值:9.9)和 0.4 克(SPF 值:8.43)的马齿苋提取物有可能成为具有最大类别和额外保护能力的防晒剂。马齿苋提取物纳米喷雾防晒剂的优点是由草本成分制成,与化学防晒产品相比,刺激性较小。
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引用次数: 0
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Journal of Medical pharmaceutical and allied sciences
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