A. Asnawi, Shifa Mieldianisa, W. Aligita, A. Yuliantini, E. Febrina
Introduction: Over 422 million people worldwide suffer from diabetes, causing 1.5 million fatalities annually. The existing medications have shortcomings, including poor glucose control and adverse effects. The present study aimed to create possible alpha-glucosidase inhibitors utilizing a curculigoside A derivative ligand-based model. Methods: A pharmacophore model was constructed utilizing the structure information of curculigoside A derivatives and PharmaGist. Subsequently, virtual screening, molecular docking, and molecular dynamics were employed to simulate the hits. Results: From six training sets, eleven pharmacophore models were developed; the model with the highest score (18.0435) was chosen for further analysis. Using the verified pharmacophore model, 270 547 chemicals from the ZINC natural product database were subjected to virtual screening. Subsequently, molecular docking was performed on the top 1000 hits with AutoDock Wizard from PyRx. This analysis unveiled 434 hits with better binding energies than acarbose, the native ligand. Subsequently, second optimal docking configurations were evaluated with AutoDock 2.4; this process yielded the discovery of three prospective inhibitors (ZINC000150350051, ZINC000008382292, and ZINC000085595291) characterized by the most advantageous binding energies. To evaluate the stability and dynamics of these ligand-receptor complexes, Gromacs 2022 molecular dynamics simulations were executed for one hundred nanoseconds. Out of the three hits, ZINC000085595291 (Hit03) exhibited good energy components and interaction stability constantly during the simulation. Conclusion: The integrated computational strategy identified promising alpha-glucosidase inhibitors in curculigoside A compounds, highlighting the potential of ZINC000085595291 (Hit03) as a potential diabetes therapeutic agent.
{"title":"Integrative computational approaches for designing novel alpha-glucosidase inhibitors based on curculigoside A derivatives: Virtual screening, molecular docking, and molecular dynamics","authors":"A. Asnawi, Shifa Mieldianisa, W. Aligita, A. Yuliantini, E. Febrina","doi":"10.34172/jhp.2024.49407","DOIUrl":"https://doi.org/10.34172/jhp.2024.49407","url":null,"abstract":"Introduction: Over 422 million people worldwide suffer from diabetes, causing 1.5 million fatalities annually. The existing medications have shortcomings, including poor glucose control and adverse effects. The present study aimed to create possible alpha-glucosidase inhibitors utilizing a curculigoside A derivative ligand-based model. Methods: A pharmacophore model was constructed utilizing the structure information of curculigoside A derivatives and PharmaGist. Subsequently, virtual screening, molecular docking, and molecular dynamics were employed to simulate the hits. Results: From six training sets, eleven pharmacophore models were developed; the model with the highest score (18.0435) was chosen for further analysis. Using the verified pharmacophore model, 270 547 chemicals from the ZINC natural product database were subjected to virtual screening. Subsequently, molecular docking was performed on the top 1000 hits with AutoDock Wizard from PyRx. This analysis unveiled 434 hits with better binding energies than acarbose, the native ligand. Subsequently, second optimal docking configurations were evaluated with AutoDock 2.4; this process yielded the discovery of three prospective inhibitors (ZINC000150350051, ZINC000008382292, and ZINC000085595291) characterized by the most advantageous binding energies. To evaluate the stability and dynamics of these ligand-receptor complexes, Gromacs 2022 molecular dynamics simulations were executed for one hundred nanoseconds. Out of the three hits, ZINC000085595291 (Hit03) exhibited good energy components and interaction stability constantly during the simulation. Conclusion: The integrated computational strategy identified promising alpha-glucosidase inhibitors in curculigoside A compounds, highlighting the potential of ZINC000085595291 (Hit03) as a potential diabetes therapeutic agent.","PeriodicalId":15934,"journal":{"name":"Journal of HerbMed Pharmacology","volume":"241 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140769440","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Happy Elda Murdiana, R. Murwanti, N. Fakhrudin, Z. Ikawati
Introduction: Diabetic foot ulcer (DFU) potentially leads to loss of function, infections, hospitalization, lower-extremity amputation, and even death. The potential therapeutic efficacy of a polyherbal candidate named TIP-Heal was identified for treating DFU. TIP-Heal, which stands for Tinospora crispa, Isotoma longiflora, and Piper betle L var nigra, consists of extracts from these three herbs in a ratio of 2:1:1. The Indonesian population commonly uses these herbs due to their wound-healing properties. It is our interest to analyse the mechanism of the polyherbal extract using network pharmacology and molecular docking. Methods: This study uses network pharmacology and molecular docking methods to analyze the multi-target mechanism of active compounds in TIP-Heal extract for DFU treatment. The proteins targeted by the bioactive chemical present in TIP-Heal and DFU were identified within a particular dataset with the keyword "homo sapiens." The identified target proteins were assessed using gene ontology (GO) analysis, the Kyoto Encyclopaedia of Gene and Genomes (KEGG) pathways, protein-protein interactions (PPIs), and molecular docking. Results: The critical proteins obtained were AKT serine/threonine kinase 1 (AKT1), caspase-3 (CASP3), epidermal growth factor receptor (EGFR), proto-oncogene tyrosine-protein kinase Src (SRC) and matrix metalloproteinase-9 (MMP-9). Several compounds, namely PubChem (Compound Identifier=CID: 5319898), 3-epiursolic acid, palmitic acid, and alpha-linolenic acid showed great potential as viable candidates to facilitate the healing process of DFU. Conclusion: The findings of this study indicate that the TIP-Heal extract has the potential to be used as a natural herbal treatment for DFUs with the involvement of AKT1, CASP3, EFGR, and SRC proteins.
{"title":"Multi-target mechanism of polyherbal extract to treat diabetic foot ulcer based on network pharmacology and molecular docking","authors":"Happy Elda Murdiana, R. Murwanti, N. Fakhrudin, Z. Ikawati","doi":"10.34172/jhp.2024.49362","DOIUrl":"https://doi.org/10.34172/jhp.2024.49362","url":null,"abstract":"Introduction: Diabetic foot ulcer (DFU) potentially leads to loss of function, infections, hospitalization, lower-extremity amputation, and even death. The potential therapeutic efficacy of a polyherbal candidate named TIP-Heal was identified for treating DFU. TIP-Heal, which stands for Tinospora crispa, Isotoma longiflora, and Piper betle L var nigra, consists of extracts from these three herbs in a ratio of 2:1:1. The Indonesian population commonly uses these herbs due to their wound-healing properties. It is our interest to analyse the mechanism of the polyherbal extract using network pharmacology and molecular docking. Methods: This study uses network pharmacology and molecular docking methods to analyze the multi-target mechanism of active compounds in TIP-Heal extract for DFU treatment. The proteins targeted by the bioactive chemical present in TIP-Heal and DFU were identified within a particular dataset with the keyword \"homo sapiens.\" The identified target proteins were assessed using gene ontology (GO) analysis, the Kyoto Encyclopaedia of Gene and Genomes (KEGG) pathways, protein-protein interactions (PPIs), and molecular docking. Results: The critical proteins obtained were AKT serine/threonine kinase 1 (AKT1), caspase-3 (CASP3), epidermal growth factor receptor (EGFR), proto-oncogene tyrosine-protein kinase Src (SRC) and matrix metalloproteinase-9 (MMP-9). Several compounds, namely PubChem (Compound Identifier=CID: 5319898), 3-epiursolic acid, palmitic acid, and alpha-linolenic acid showed great potential as viable candidates to facilitate the healing process of DFU. Conclusion: The findings of this study indicate that the TIP-Heal extract has the potential to be used as a natural herbal treatment for DFUs with the involvement of AKT1, CASP3, EFGR, and SRC proteins.","PeriodicalId":15934,"journal":{"name":"Journal of HerbMed Pharmacology","volume":"44 19","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140796425","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Agustina Setiawati, Brigitta Amanda Maharani, Putu Addelia Puspa Sari, K. A. Widyantara, B. Saputra, Rifki Febriansah, Rini Dwiastuti
Introduction: Melanin is a defense against UV radiation; however, it leads to significant cosmetic issues mainly melasma and hyperpigmentation. This study evaluated the potential effect of ethyl acetate (EtOAc) fraction of Centella asiatica extract in vitro inhibition activity against tyrosinase (TYR). Bioinformatics and in silico experiments were also employed to predict molecular pathways of asiaticoside, as the main active compound. Methods: Centella asiatica was extracted with ethanol and then fractionated with EtOAc. The fraction was tested in vitro for TYR inhibitory activity, and its active compounds were investigated using thin-layer chromatography (TLC). After obtaining the online database of the genes related to pigmentation and melanogenesis in the skin, the genes affected by asiaticoside were determined by the Venn diagram. The top 10 target proteins, underlying molecular pathways, got from CytoHubba, were further studied to figure out their molecular pathway. The molecular docking was conducted on two selected protein targets. Results: EtOAc fraction of C. asiatica extract demonstrated strong TYR inhibitory activity with an IC50 of 18.85 μg/mL. TLC profiling of the EtOAc fraction revealed the Rf value of 0.28 for the standard, Rf value of 0.26, 0.21, and 0.15 for the extract, and Rf value of 0.26 and 0.15 for the fraction. Asiaticoside inhibited melanogenesis by elaborating many molecular pathways involving keratinocytes, melanocytes, fibroblast, and endothelial cells by elaborating cytokine, growth factor, extracellular matrix, and melanin degradation enzyme Conclusion: Asiaticoside-rich C. asiatica fraction has the potential as an anti-melanogenesis agent through its TYR inhibitory activity and many molecular pathways.
{"title":"Deciphering the molecular pathway of an asiaticosiderich fraction of Centella asiatica as an anti-melanogenesis agent","authors":"Agustina Setiawati, Brigitta Amanda Maharani, Putu Addelia Puspa Sari, K. A. Widyantara, B. Saputra, Rifki Febriansah, Rini Dwiastuti","doi":"10.34172/jhp.2024.49332","DOIUrl":"https://doi.org/10.34172/jhp.2024.49332","url":null,"abstract":"Introduction: Melanin is a defense against UV radiation; however, it leads to significant cosmetic issues mainly melasma and hyperpigmentation. This study evaluated the potential effect of ethyl acetate (EtOAc) fraction of Centella asiatica extract in vitro inhibition activity against tyrosinase (TYR). Bioinformatics and in silico experiments were also employed to predict molecular pathways of asiaticoside, as the main active compound. Methods: Centella asiatica was extracted with ethanol and then fractionated with EtOAc. The fraction was tested in vitro for TYR inhibitory activity, and its active compounds were investigated using thin-layer chromatography (TLC). After obtaining the online database of the genes related to pigmentation and melanogenesis in the skin, the genes affected by asiaticoside were determined by the Venn diagram. The top 10 target proteins, underlying molecular pathways, got from CytoHubba, were further studied to figure out their molecular pathway. The molecular docking was conducted on two selected protein targets. Results: EtOAc fraction of C. asiatica extract demonstrated strong TYR inhibitory activity with an IC50 of 18.85 μg/mL. TLC profiling of the EtOAc fraction revealed the Rf value of 0.28 for the standard, Rf value of 0.26, 0.21, and 0.15 for the extract, and Rf value of 0.26 and 0.15 for the fraction. Asiaticoside inhibited melanogenesis by elaborating many molecular pathways involving keratinocytes, melanocytes, fibroblast, and endothelial cells by elaborating cytokine, growth factor, extracellular matrix, and melanin degradation enzyme Conclusion: Asiaticoside-rich C. asiatica fraction has the potential as an anti-melanogenesis agent through its TYR inhibitory activity and many molecular pathways.","PeriodicalId":15934,"journal":{"name":"Journal of HerbMed Pharmacology","volume":"24 7","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140772427","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
G. J. Beppe, Bertrand Mpoo Barga, Hervé Hervé Abaissou Ngatanko, A. I. Folefack, N. G. Allah-Doum, Merline Nguedia, A. Dongmo, T. Dimo
Introduction: Combretum aculeatum is a plant of Combretaceae family. In traditional medicine, it is used to treat schizophrenia. The aim of this study was to assess the possible impacts of hydroethanolic extract of C. aculeatum root bark on D-galactose (D-Gal)-induced amnesia in mice. Methods: Memory was tested using Y-maze test, radial arms maze (RAM), and new item appreciation. Mice brains were collected for histological and biochemical testing. Results: Combretum aculeatum substantially (P < 0.001) improved the ratio of spontaneous alternation versus negative control. In addition, discrimination index, and the time required to appreciate the new item were reversed considerably (P < 0.001) in mice receiving the extract opposed to the negative control fraction in the novel object appreciation test. The frequency of working memory mistakes was reversed in receiving extract categories versus negative control animals in RAM essay. Various doses of the extract substantially (P < 0.001) diminished the level of malondialdehyde (MDA), and crucially enlarged superoxide dismutase (SOD) and catalase activity as opposed to the negative control. Furthermore, all doses of the extract had a restructuring effect on the organization of hippocampal cells. Conclusion: Combretum aculeatum improved cognitive impairment possibly thought its antioxidant activity.
{"title":"Combretum aculeatum Vent (Combretaceae) hydroethanolic root bark extract attenuates D-galactoseinduced cognitive impairment, oxidative, and hippocampi dysfunction in mice","authors":"G. J. Beppe, Bertrand Mpoo Barga, Hervé Hervé Abaissou Ngatanko, A. I. Folefack, N. G. Allah-Doum, Merline Nguedia, A. Dongmo, T. Dimo","doi":"10.34172/jhp.2024.44451","DOIUrl":"https://doi.org/10.34172/jhp.2024.44451","url":null,"abstract":"Introduction: Combretum aculeatum is a plant of Combretaceae family. In traditional medicine, it is used to treat schizophrenia. The aim of this study was to assess the possible impacts of hydroethanolic extract of C. aculeatum root bark on D-galactose (D-Gal)-induced amnesia in mice. Methods: Memory was tested using Y-maze test, radial arms maze (RAM), and new item appreciation. Mice brains were collected for histological and biochemical testing. Results: Combretum aculeatum substantially (P < 0.001) improved the ratio of spontaneous alternation versus negative control. In addition, discrimination index, and the time required to appreciate the new item were reversed considerably (P < 0.001) in mice receiving the extract opposed to the negative control fraction in the novel object appreciation test. The frequency of working memory mistakes was reversed in receiving extract categories versus negative control animals in RAM essay. Various doses of the extract substantially (P < 0.001) diminished the level of malondialdehyde (MDA), and crucially enlarged superoxide dismutase (SOD) and catalase activity as opposed to the negative control. Furthermore, all doses of the extract had a restructuring effect on the organization of hippocampal cells. Conclusion: Combretum aculeatum improved cognitive impairment possibly thought its antioxidant activity.","PeriodicalId":15934,"journal":{"name":"Journal of HerbMed Pharmacology","volume":"27 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140769626","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Introduction: This research explores the capability of silver nanoparticles (AgNPs) produced via friendly methods by using Solanum trilobatum leaf extract. The choice of S. trilobatum was supported by its diverse phytochemical makeup, which comprises recognized bioactive elements known for their anti-inflammatory and anti-cancer attributes. This research explores the effect of AgNPs derived from this plant as a promising eco-friendly strategy in oral cancer treatment. Methods: The synthesis of AgNPs involved employing S. trilobatum leaf extract, with observable color changes and spectral analyses confirming the unique characteristics of the nanoparticles. Fourier transform infrared spectroscopy detected distinct functional groups, whereas scanning electron microscopy (SEM) confirmed the presence of biocapped nanoparticles exhibiting various shapes and sizes spanning from 100 to 300 nm. Results: Cytotoxicity assessments via the 3-[4,5-dimethylthiazol-2-yl]-2,5 diphenyl tetrazolium bromide (MTT) assay revealed a half-minimal inhibitory concentration (IC50) value of 3.715 ± 0.242 μg/mL against the oral cancer (KB) cell line, indicating a significant inhibition. Acridine orange/ethidium bromide (AO/EtBr) and reactive oxygen species (ROS) assays further supported the AgNPs’ anti-cancer potential, affirming their promise for oral cancer therapy. Conclusion: AgNPs synthesized from S. trilobatum leaf extract showed substantial potential as a therapeutic agent for oral cancer. This research adds to the increasing evidence endorsing the use of environmentally friendly synthesized nanoparticles in medical treatments.
{"title":"Anticancer activity of silver nanoparticles synthesized from aqueous leaf extract of Solanum trilobatum (Purple fruit pea eggplant) on human oral cancer cells","authors":"Anuradha Ganesan, Gautham Kumar N, P. Natarajan","doi":"10.34172/jhp.2024.49325","DOIUrl":"https://doi.org/10.34172/jhp.2024.49325","url":null,"abstract":"Introduction: This research explores the capability of silver nanoparticles (AgNPs) produced via friendly methods by using Solanum trilobatum leaf extract. The choice of S. trilobatum was supported by its diverse phytochemical makeup, which comprises recognized bioactive elements known for their anti-inflammatory and anti-cancer attributes. This research explores the effect of AgNPs derived from this plant as a promising eco-friendly strategy in oral cancer treatment. Methods: The synthesis of AgNPs involved employing S. trilobatum leaf extract, with observable color changes and spectral analyses confirming the unique characteristics of the nanoparticles. Fourier transform infrared spectroscopy detected distinct functional groups, whereas scanning electron microscopy (SEM) confirmed the presence of biocapped nanoparticles exhibiting various shapes and sizes spanning from 100 to 300 nm. Results: Cytotoxicity assessments via the 3-[4,5-dimethylthiazol-2-yl]-2,5 diphenyl tetrazolium bromide (MTT) assay revealed a half-minimal inhibitory concentration (IC50) value of 3.715 ± 0.242 μg/mL against the oral cancer (KB) cell line, indicating a significant inhibition. Acridine orange/ethidium bromide (AO/EtBr) and reactive oxygen species (ROS) assays further supported the AgNPs’ anti-cancer potential, affirming their promise for oral cancer therapy. Conclusion: AgNPs synthesized from S. trilobatum leaf extract showed substantial potential as a therapeutic agent for oral cancer. This research adds to the increasing evidence endorsing the use of environmentally friendly synthesized nanoparticles in medical treatments.","PeriodicalId":15934,"journal":{"name":"Journal of HerbMed Pharmacology","volume":"1105 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140774114","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Aloysius Imanadi Sambi, B. Saputra, Agustina Setiawati
Introduction: Muntingia calabura is a medicinal plant possessing antimicrobial properties against various bacteria. The purpose of this study was to examine in vitro and in silico activity of the ethyl acetate fraction of M. calabura leaves against the acne-causing commensal bacterium, Staphylococcus epidermidis. Methods: In this study, M. calabura leaves were extracted using ethanol and then further fractionated with ethyl acetate. The phytochemicals in the fraction were identified with thin layer chromatography (TLC). The activity of the fraction was then tested in S. epidermidis culture using the agar diffusion method. Additionally, the molecular docking of M. calabura phytochemicals constituents was simulated to teicoplanin-associated locus regulator (TcaR) of S. epidermidis. Results: The ethyl acetate fraction of M. calabura exhibited robust antibacterial activity against S. epidermidis culture, resulting in inhibition zones ranging from 5 to 10 mm. The fraction was found to contain flavonoids, saponins, and tannins as identified constituents. Further, during the molecular docking analysis, stigmasterol and 7-methoxyflavone demonstrated binding to TcaR with a lower and comparable binding energy of -7.40 and -6.19 kcal/mol, respectively, compared to the control drug, Penicillin-G (-6.40 kcal/mol). Conclusion: M. calabura has the potential to serve as a valuable source of active phytochemical compounds for addressing acne. Further studies are needed to isolate and evaluate each compound found in M. calabura individually against S. epidermidis.
简介Muntingia calabura 是一种药用植物，对多种细菌具有抗菌特性。本研究的目的是检测 M. calabura 叶子乙酸乙酯馏分对导致痤疮的共生细菌表皮葡萄球菌的体外和体内活性。方法：在这项研究中，用乙醇提取卡拉布拉树叶，然后用乙酸乙酯进一步分馏。馏分中的植物化学物质通过薄层色谱法（TLC）进行鉴定。然后用琼脂扩散法测试了馏分在表皮葡萄球菌培养中的活性。此外，还模拟了 M. calabura 植物化学成分与 S. epidermidis 的 teicoplanin-associated locus regulator (TcaR) 的分子对接。结果显示M.calabura的乙酸乙酯馏分对表皮葡萄球菌培养物具有很强的抗菌活性，抑制区范围为5至10毫米。经鉴定，该馏分含有黄酮类、皂苷和单宁酸成分。此外，在分子对接分析过程中，与对照药物青霉素-G（-6.40 kcal/mol）相比，豆固醇和 7-甲氧基黄酮与 TcaR 的结合能分别为 -7.40 和 -6.19 kcal/mol，具有可比性。结论M.calabura有可能成为治疗痤疮的活性植物化学物质的重要来源。还需要进一步的研究，以分离和评估在 M. calabura 中发现的每种化合物对表皮葡萄球菌的作用。
{"title":"Exploring the anti-acne potential of Muntingia calabura L leaves against Staphylococcus epidermidis: In vitro and in silico perspective","authors":"Aloysius Imanadi Sambi, B. Saputra, Agustina Setiawati","doi":"10.34172/jhp.2024.48170","DOIUrl":"https://doi.org/10.34172/jhp.2024.48170","url":null,"abstract":"Introduction: Muntingia calabura is a medicinal plant possessing antimicrobial properties against various bacteria. The purpose of this study was to examine in vitro and in silico activity of the ethyl acetate fraction of M. calabura leaves against the acne-causing commensal bacterium, Staphylococcus epidermidis. Methods: In this study, M. calabura leaves were extracted using ethanol and then further fractionated with ethyl acetate. The phytochemicals in the fraction were identified with thin layer chromatography (TLC). The activity of the fraction was then tested in S. epidermidis culture using the agar diffusion method. Additionally, the molecular docking of M. calabura phytochemicals constituents was simulated to teicoplanin-associated locus regulator (TcaR) of S. epidermidis. Results: The ethyl acetate fraction of M. calabura exhibited robust antibacterial activity against S. epidermidis culture, resulting in inhibition zones ranging from 5 to 10 mm. The fraction was found to contain flavonoids, saponins, and tannins as identified constituents. Further, during the molecular docking analysis, stigmasterol and 7-methoxyflavone demonstrated binding to TcaR with a lower and comparable binding energy of -7.40 and -6.19 kcal/mol, respectively, compared to the control drug, Penicillin-G (-6.40 kcal/mol). Conclusion: M. calabura has the potential to serve as a valuable source of active phytochemical compounds for addressing acne. Further studies are needed to isolate and evaluate each compound found in M. calabura individually against S. epidermidis.","PeriodicalId":15934,"journal":{"name":"Journal of HerbMed Pharmacology","volume":"116 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140762389","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Rachid Flouchi, M. Chraibi, A. Elmniai, Karim Fahsi, Ibrahim Touzani, A. Farah, K. Fikri-Benbrahim
Introduction: Healthcare-associated infections are a global public health issue with farreaching individual and economic repercussions. The microorganism’s multi-resistance frequently increases the risk that can be lowered by using biomolecules of medicinal plant essential oils (EOs). This study investigated the phytochemical components and antimicrobial potential of the EOs of Moroccan Origanum compactum and Ruta montana gathered from Taza Region. Methods: The EOs’ chemical analysis was performed by GC/MS and their antimicrobial effects were assessed by the microplate dilution method against eight nosocomial resistantbacterial strains. Results: The main constituents of O. compactum EO were Thymol (29.56%), carvacrol (26.44%), γ-terpinene (18.86%) and p-cymene (12.01%), while those of R. montana EO were 2-undecanone (85.76%), 2-nonanone (3.95%), 2-decanone (3.67%) and 2-dodecanone (1.94%). The O. compactum EO had important antimicrobial effects on all bacteria experienced. The lower minimum inhibitory concentration (MIC) values were obtained for the tested Staphylococcus species (0.062%, 0.125% (v/v)) while the highest one (2% (v/v)) was obtained for Klebsiella pneumonia and Pantoea spp. The R. montana EO showed MIC values of 4% (v/v) for Pantoea spp. and 8% (v/v) for the other tested strains except K. pneumonia for which no effect was shown. Conclusion: Therefore, these EOs, especially the O. compactum one, have an interesting antibacterial potential against nosocomial infections and might be used to develop new antimicrobial agents.
导言：医疗相关感染是一个全球性的公共卫生问题，对个人和经济影响深远。微生物的多重抗药性经常会增加风险，而使用药用植物精油（EOs）中的生物大分子可以降低风险。本研究调查了从塔扎地区采集的摩洛哥小叶牛至和鲁塔蒙塔纳精油的植物化学成分和抗菌潜力。研究方法采用气相色谱/质谱对 EO 进行化学分析，并通过微孔板稀释法评估其对八种耐药菌株的抗菌效果。结果：O. compactum环氧乙烷的主要成分为百里酚（29.56%）、香芹酚（26.44%）、γ-萜品烯（18.86%）和对伞花烯（12.01%），而 R. montana环氧乙烷的主要成分为 2-十一酮（85.76%）、2-壬酮（3.95%）、2-癸酮（3.67%）和 2-十二酮（1.94%）。O. compactum 环氧乙烷对所有细菌都有重要的抗菌作用。对测试的葡萄球菌（0.062%、0.125%（v/v））的最小抑菌浓度（MIC）值较低，而对肺炎克雷伯氏菌和泛德氏菌的最小抑菌浓度（MIC）值最高（2%（v/v））。结论因此，这些环氧乙烷（尤其是 O. compactum 环氧乙烷）对鼻内感染具有有趣的抗菌潜力，可用于开发新的抗菌剂。
{"title":"Phytochemistry and antimicrobial activity of Moroccan Origanum compactum and Ruta montana essential oils against nosocomial bacteria","authors":"Rachid Flouchi, M. Chraibi, A. Elmniai, Karim Fahsi, Ibrahim Touzani, A. Farah, K. Fikri-Benbrahim","doi":"10.34172/jhp.2024.49412","DOIUrl":"https://doi.org/10.34172/jhp.2024.49412","url":null,"abstract":"Introduction: Healthcare-associated infections are a global public health issue with farreaching individual and economic repercussions. The microorganism’s multi-resistance frequently increases the risk that can be lowered by using biomolecules of medicinal plant essential oils (EOs). This study investigated the phytochemical components and antimicrobial potential of the EOs of Moroccan Origanum compactum and Ruta montana gathered from Taza Region. Methods: The EOs’ chemical analysis was performed by GC/MS and their antimicrobial effects were assessed by the microplate dilution method against eight nosocomial resistantbacterial strains. Results: The main constituents of O. compactum EO were Thymol (29.56%), carvacrol (26.44%), γ-terpinene (18.86%) and p-cymene (12.01%), while those of R. montana EO were 2-undecanone (85.76%), 2-nonanone (3.95%), 2-decanone (3.67%) and 2-dodecanone (1.94%). The O. compactum EO had important antimicrobial effects on all bacteria experienced. The lower minimum inhibitory concentration (MIC) values were obtained for the tested Staphylococcus species (0.062%, 0.125% (v/v)) while the highest one (2% (v/v)) was obtained for Klebsiella pneumonia and Pantoea spp. The R. montana EO showed MIC values of 4% (v/v) for Pantoea spp. and 8% (v/v) for the other tested strains except K. pneumonia for which no effect was shown. Conclusion: Therefore, these EOs, especially the O. compactum one, have an interesting antibacterial potential against nosocomial infections and might be used to develop new antimicrobial agents.","PeriodicalId":15934,"journal":{"name":"Journal of HerbMed Pharmacology","volume":"1346 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140773840","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Introduction: Yam bean (Pachyrhizus erosus L.) offers numerous health benefits. However, the effects of its dietary fiber (yam bean fiber, YBF) on dyslipidemia, liver disease, and the overproduction of metabolic hormones, specifically glucagon-like peptide-1 (GLP1) and fibroblast growth factor 21 (FGF21), resulting from a high-fat diet (HFD) remain underexplored. Thus, our present investigation sought to address this gap. Methods: Adult male mice (n = 24) were randomly assigned into four different groups such as normal diet (ND) as a control group, HFD, and HFD supplemented with either 2.5% or 10% YBF. After a 12-week dietary regimen, plasma lipid profiles, liver histology and biochemistry, and the levels of FGF21 and GLP-1 were assessed. Results: YBF supplementation, especially at 10% dose, effectively lowered total serum cholesterol, triglyceride (TG), and low-density lipoprotein (LDL) compared with those fed HFD (P < 0.05). YBF also reduced liver weight and mitigated the elevation of malondialdehyde (MDA) and the depletion of catalase (CAT) activity induced by HFD in liver tissues (P < 0.05). Furthermore, 10% YBF supplementation effectively countered liver pathology, including central vein enlargement, hepatic steatosis, inflammation, abnormal sinusoids, and hepatocyte degeneration caused by HFD (P < 0.05). YBF at 10% also attenuated the HFDinduced hypersecretion of FGF21 and GLP-1 hormones. Conclusion: Our findings indicate that YBF supplementation could counteract the adverse effects of HFD, particularly in terms of dyslipidemia, liver disease, and metabolic hormone imbalances. Incorporating YBF into diets may thus offer protective benefits against HFDinduced metabolic diseases and associated health issues.
{"title":"Supplementation of yam bean (Pachyrhizus erosus L.) fiber ameliorates dyslipidemia, liver pathology and hypersecretion of metabolic hormones in mice fed a highfat diet","authors":"Putra Santoso, R. Maliza","doi":"10.34172/jhp.2024.48257","DOIUrl":"https://doi.org/10.34172/jhp.2024.48257","url":null,"abstract":"Introduction: Yam bean (Pachyrhizus erosus L.) offers numerous health benefits. However, the effects of its dietary fiber (yam bean fiber, YBF) on dyslipidemia, liver disease, and the overproduction of metabolic hormones, specifically glucagon-like peptide-1 (GLP1) and fibroblast growth factor 21 (FGF21), resulting from a high-fat diet (HFD) remain underexplored. Thus, our present investigation sought to address this gap. Methods: Adult male mice (n = 24) were randomly assigned into four different groups such as normal diet (ND) as a control group, HFD, and HFD supplemented with either 2.5% or 10% YBF. After a 12-week dietary regimen, plasma lipid profiles, liver histology and biochemistry, and the levels of FGF21 and GLP-1 were assessed. Results: YBF supplementation, especially at 10% dose, effectively lowered total serum cholesterol, triglyceride (TG), and low-density lipoprotein (LDL) compared with those fed HFD (P < 0.05). YBF also reduced liver weight and mitigated the elevation of malondialdehyde (MDA) and the depletion of catalase (CAT) activity induced by HFD in liver tissues (P < 0.05). Furthermore, 10% YBF supplementation effectively countered liver pathology, including central vein enlargement, hepatic steatosis, inflammation, abnormal sinusoids, and hepatocyte degeneration caused by HFD (P < 0.05). YBF at 10% also attenuated the HFDinduced hypersecretion of FGF21 and GLP-1 hormones. Conclusion: Our findings indicate that YBF supplementation could counteract the adverse effects of HFD, particularly in terms of dyslipidemia, liver disease, and metabolic hormone imbalances. Incorporating YBF into diets may thus offer protective benefits against HFDinduced metabolic diseases and associated health issues.","PeriodicalId":15934,"journal":{"name":"Journal of HerbMed Pharmacology","volume":"231 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140780572","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Azis Saifudin, M. A. Bahar, Muh. Haqqi Hidayatullah, Hisayoshi Norimoto, Yasuhiro Tezuka, Ken Tanaka
Over the past two decades, the secondary metabolite platform has determined the scientific direction of herbal medicines, while plant sources have been assumed to be the object of lead discoveries through bioassay-guided fractionation efforts. Nonetheless, the majority of purification programs have resulted in fractions and pure compounds with much lower efficacy than their parent extracts. It is then assumed that co-working action modes among chemical constituents occur in the herbal preparations. Primary metabolites (polysaccharides, peptides, and fatty acids) and mineral groups, on the other hand, have been neglected in the herbal effect contributions. This review aims to understand the interplay of secondary metabolites in herbal preparations, particularly how they interact with primary metabolites and mineral groups. Thus, by adhering to classical methods, it is possible to address certain aspects that modern standardization lacks, thereby facilitating a more comprehensive approach to these issues.
{"title":"Rethinking the basic action modes of herbal medicine and pondering classical standardization","authors":"Azis Saifudin, M. A. Bahar, Muh. Haqqi Hidayatullah, Hisayoshi Norimoto, Yasuhiro Tezuka, Ken Tanaka","doi":"10.34172/jhp.2024.48269","DOIUrl":"https://doi.org/10.34172/jhp.2024.48269","url":null,"abstract":"Over the past two decades, the secondary metabolite platform has determined the scientific direction of herbal medicines, while plant sources have been assumed to be the object of lead discoveries through bioassay-guided fractionation efforts. Nonetheless, the majority of purification programs have resulted in fractions and pure compounds with much lower efficacy than their parent extracts. It is then assumed that co-working action modes among chemical constituents occur in the herbal preparations. Primary metabolites (polysaccharides, peptides, and fatty acids) and mineral groups, on the other hand, have been neglected in the herbal effect contributions. This review aims to understand the interplay of secondary metabolites in herbal preparations, particularly how they interact with primary metabolites and mineral groups. Thus, by adhering to classical methods, it is possible to address certain aspects that modern standardization lacks, thereby facilitating a more comprehensive approach to these issues.","PeriodicalId":15934,"journal":{"name":"Journal of HerbMed Pharmacology","volume":"31 7","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140756620","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Autoimmune disease is a chronic condition that requires treatment with prolonged use of drugs. Consequently, there is a significant occurrence of adverse effects and toxicity associated with the medicine. On the other hand, epigallocatechin gallate (EGCG), the primary bioactive catechin in green tea (Camellia sinensis), has been demonstrated to possess anti-inflammatory properties and exhibit therapeutic effects in autoimmune disorders. Therefore, EGCG can be considered a complementary and alternative medicine to address the limitations of current treatment. Turning to the disease pathology, the balance between helper T-cell (Th) and regulatory T-cell (Treg) differentiation is the crucial aspect that needs to be regulated in order to attain immunological tolerance and suppress the incidence and severity of autoimmune disease. Here, we aim to comprehensively review the immunomodulatory effect of EGCG on the balance of Th/Treg cell differentiation in diverse autoimmune disorders. Scientific databases, including Scopus, PubMed, Science Direct, and Google Scholar, were searched using the keywords autoimmune AND (epigallocatechin-3-gallate OR epigallocatechin gallate OR EGCG) AND (Thelper OR Th OR Treg OR CD4). Our review revealed that EGCG has ability to repair the imbalance of Th/Treg cell differentiation in rheumatoid arthritis (RA), multiple sclerosis (MS), ulcerative colitis (UC), and autoimmune uveitis (AU) by inhibiting the differentiation of Th1 and Th17 cells while promoting the differentiation of Th2 and Treg cells, as well as improving the clinical conditions of the tested animals. Hence, it might be inferred that EGCG exhibits considerable promise as a viable complementary and alternative therapeutic option for autoimmune disease.
自身免疫性疾病是一种需要长期用药治疗的慢性病。因此，药物的不良反应和毒性非常明显。另一方面，绿茶（Camellia sinensis）中的主要生物活性儿茶素表没食子儿茶素没食子酸酯（EGCG）已被证实具有抗炎特性，对自身免疫性疾病有治疗作用。因此，EGCG 可被视为一种补充和替代药物，以解决目前治疗方法的局限性。在疾病病理方面，辅助性 T 细胞（Th）和调节性 T 细胞（Treg）分化之间的平衡是需要调节的关键环节，这样才能达到免疫耐受，抑制自身免疫性疾病的发病率和严重程度。在此，我们旨在全面综述EGCG对各种自身免疫性疾病中Th/Treg细胞分化平衡的免疫调节作用。我们在Scopus、PubMed、Science Direct和Google Scholar等科学数据库中以自身免疫和（表没食子儿茶素-3-没食子酸酯或表没食子儿茶素没食子酸酯或EGCG）和（Th或Treg或CD4）为关键词进行了检索。我们的研究发现，EGCG 能够通过抑制 Th1 和 Th17 细胞的分化，同时促进 Th2 和 Treg 细胞的分化，修复类风湿性关节炎（RA）、多发性硬化症（MS）、溃疡性结肠炎（UC）和自身免疫性葡萄膜炎（AU）中 Th/Treg 细胞分化的失衡，并改善受试动物的临床状况。因此，可以推断EGCG有望成为治疗自身免疫性疾病的一种可行的补充和替代疗法。
{"title":"Epigallocatechin gallate, the primary bioactive component from Camellia sinensis: A review on immunomodulatory effects in autoimmune diseases by balancing the differentiation of Th and Treg cells","authors":"Vigha Ilmanafi Arifka, A. P. Gani, R. Murwanti","doi":"10.34172/jhp.2024.48284","DOIUrl":"https://doi.org/10.34172/jhp.2024.48284","url":null,"abstract":"Autoimmune disease is a chronic condition that requires treatment with prolonged use of drugs. Consequently, there is a significant occurrence of adverse effects and toxicity associated with the medicine. On the other hand, epigallocatechin gallate (EGCG), the primary bioactive catechin in green tea (Camellia sinensis), has been demonstrated to possess anti-inflammatory properties and exhibit therapeutic effects in autoimmune disorders. Therefore, EGCG can be considered a complementary and alternative medicine to address the limitations of current treatment. Turning to the disease pathology, the balance between helper T-cell (Th) and regulatory T-cell (Treg) differentiation is the crucial aspect that needs to be regulated in order to attain immunological tolerance and suppress the incidence and severity of autoimmune disease. Here, we aim to comprehensively review the immunomodulatory effect of EGCG on the balance of Th/Treg cell differentiation in diverse autoimmune disorders. Scientific databases, including Scopus, PubMed, Science Direct, and Google Scholar, were searched using the keywords autoimmune AND (epigallocatechin-3-gallate OR epigallocatechin gallate OR EGCG) AND (Thelper OR Th OR Treg OR CD4). Our review revealed that EGCG has ability to repair the imbalance of Th/Treg cell differentiation in rheumatoid arthritis (RA), multiple sclerosis (MS), ulcerative colitis (UC), and autoimmune uveitis (AU) by inhibiting the differentiation of Th1 and Th17 cells while promoting the differentiation of Th2 and Treg cells, as well as improving the clinical conditions of the tested animals. Hence, it might be inferred that EGCG exhibits considerable promise as a viable complementary and alternative therapeutic option for autoimmune disease.","PeriodicalId":15934,"journal":{"name":"Journal of HerbMed Pharmacology","volume":"177 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140756318","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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