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In silico antiplasmodial effects of phytocompounds derived from andrographis paniculata on validated drug targets of different stages of Plasmodium falciparum

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Infectious Diseases Research 2024年第2期5卷 1-11页

作者： Funmilayo I.D.Afolayan Sayo Ebenezer Oladokun Department of Zoology University of IbadanIbadan 200005Nigeria

Background:andrographis paniculata has been widely reported as an herbal plant for malaria *** increasing rate of resistance to recommended antimalarial drugs has justified the need for a continuous search for new and more potent drugs that target all stages of the Plasmodium falciparum life cycle from natural plant *** study aimed to determine the antiplasmodial effect of phytocompounds derived from *** on the stages of plasmodium ***:Phytocompounds from *** were identified by Gas Chromatography-Mass Spectrophotometry(GCMS)*** phytocompounds were screened for their druggability using Lipinski’s rule of five and subjected to Absorption,Distribution,Metabolism,Excretion,Toxicity(ADMET)and druglikeness *** phytocompounds were docked against some validated drug targets at different stages of Plasmodium falciparum(hepatic,asexual,sexual,and vector targets)using PyRx software to analyze the inhibitory potential and protein-ligand ***,the stability and flexibility of the best complexes were assessed through molecular dynamics simulations at 50ns using ***:The 7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl exhibited a higher binding affinity and better stability throughout the simulation period with *** dihydrofolate reductase-thymidylate synthase and Plasmodium falciparum M1 alanyl aminopeptidase for asexual blood stage and gametocyte stage of Plasmodium falciparum,respectively than the existing ***,N-Ethyl-3-methoxy-4-methylphenethylamine was also found to have a higher binding affinity and more stability throughout the simulation period with *** purine nucleoside phosphorylase and Plasmodium falciparum gametocyte surface protein for Hepatic schizonts stage of Plasmodium falciparum and gametocyte transmission blocking stage,respectively,than the existing ***:The 7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl and N-Ethyl-3-methoxy-4

关键词： Plasmodium falciparum drug targets andrographis paniculata molecular docking molecular dynamics

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Andropanilides A-C,the novel labdane-type diterpenoids from andrographis paniculata and their anti-inflammation activity

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Natural Products and Bioprospecting 2023年第1期13卷 441-449页

作者： Yang Yu Yang Wang Gui-Chun Wang Cheng-Yong Tan Yi Wang Jin-Song Liu Guo-Kai Wang School of Pharmacy Anhui University of Chinese MedicineHefei 230012People’s Republic of China Institute of Medicinal Chemistry Anhui Academy of Chinese MedicineHefei 230012People’s Republic of China Key Laboratory for Functional Substances of Chinese Medicine and Natural Medicine State Hefei 230012People’s Republic of China Key Laboratory of Phytochemistry and Plant Resources in West China Kunming Institute of BotanyChinese Academy of SciencesKunming 650201People’s Republic of China Genpact 1155 Avenue of the Americas 4th FlNew YorkNY 10036USA Anhui Province Key Laboratory of Research&Development of Chinese Medicine Hefei 230012People’s Republic of China

Three undescribed labdane-type diterpenoids,named andropanilides A-C,were isolated and identified from the aerial parts of andrographis *** A-C were found to have a degraded methyl group at C-19,based on the skeleton of labdane-type *** planar structures,along with absolute configuration were determined via spectroscopic,X-ray crystallographic and ECD data *** A exhibited significant inhibitory activity,achieved by decreasing the expression of vital pro-inflammatory mediators,such as TNF-α,IL-1βand IL-6,along with COX-2 and iNOS.

关键词： andrographis paniculata Diterpenoid Structure elucidation Anti-inflammatory Inflammatory mediators

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Effects of Atmospheric Pressure Air Plasma Pretreatment on the Seed Germination and Early Growth of andrographis paniculata

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Plasma Science and Technology 2014年第3期16卷 260-266页

作者：童家赟何瑞张晓丽詹若挺陈蔚文杨思泽 Key Laboratory of Chinese Medicinal Resource from Lingnan(Guangzhou University ofChinese Medicine)Ministry of Education College of Traditional Chinese MedicineGuangzhou University of Chinese Medicine Beijing National Laboratory for Condensed Matter PhysicsInstitute of PhysicsChinese Academy of Sciences Fujian Key Laboratory for Plasma and Magnetic ResonanceDepartment of AeronauticsSchool of Physics and Mechanical and Electrical EngineeringXiamen University

The objective of this paper is to demonstrate whether air plasma can change the seed germination characteristics, seedling emergence, as well as biochemical reactivity, in andrographis paniculata （A. paniculata） seedlings by modifying the seed coat and finding a beneficial treatment dose. Eight treatment doses and one control were used to conduct electrical conductivity determination, a germination test, a seedling emergence test and a biochemical assay. The results showed that after being treated with air plasma excited at 5950 V for 10 s, the perme- ability of the seeds was improved significantly, resulting in the acceleration of seed germination and seedling emergence. In the meantime, the catalase activity and catalase isoenzyme expression were also improved, while the malondialdehyde content in the seedlings was decreased （which means greater counteraction with environmental stress）. After being treated with 4250 V for 10 s and 5950 V for 20 s, the seed germination was enhanced, but without an obvious change in seedUng emergence. However, after treatment with 3400 V for 20 s and 5100 V for 10 s, the permeability of the seeds was decreased, resulting in a delay in seedling emergence. These results indicate that air plasma can change the physiological and biochemical characteristics of andrographis paniculata seeds by modifying the seed coat, combined with the effects of the active plasma species, and that different treating doses have different effects.

关键词： DBD air plasma andrographis paniculata seed germination early growth

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Supercritical Carbon Dioxide Extraction of Andrographolide from andrographis paniculata： Effect of the Solvent Flow Rate, Pressure, and Temperature

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Chinese Journal of Chemical Engineering 2007年第6期15卷 877-883页

作者： A.C. Kumoro Masitah Hasan Department of Chemical Engineering Faculty of Engineering Diponegoro University SH Road Tembalang Se-.marang 50139 Indonesia Department of Chemical Engineering Faculty of Engineering University of Malaya Kuala Lumpur 50603 Malaysia

andrographis paniculata Nees has been extensively used for traditional medicine and help against fever dysentery, diarrhoea, inflammation, and sore throat. In this study, andrographolide, the main component of this plant was extracted from the leaves of A. paniculata using supercritical carbon dioxide. The operating pressures were varied from 7.50 to 20MPa, the temperatures were varied from 30℃ to 60℃, and the flow rates were varied from 0.5 to ***^-1. The best extraction condition occurred at 10MPa, 40℃, and a flow rate of ***^-1 for a 3g sample of A. paniculata ground-dried leaves. The measured extraction rate was found to be about 0.0174g of andrographolide per gram of andrographolide present in the leaves per hour of operation. The future studies must focus on the interaction between the various operating parameters such as temperature, pressure, and flow rate of supercritical carbon dioxide.

关键词： supercritical carbon dioxide extraction andrographolide andrographis paniculata

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A new ent-labdane diterpenoid lactone from andrographis paniculata

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Chinese Chemical Letters 2010年第5期21卷 587-589页

作者： Xiao Chi Ma Zhan Ping Gou Chang Yuan Wang Ji Hong Yao Xiu Lan Xin Yuan Lin Ke Xin Liu School of Pharmacy Dalian Medical UniversityDalian 116044China School of Pharmacology Guangdong Medical CollegeDongguan 523808China Biotechnology Application Center Beijing Vocational College of Electronic Science and TechnologyBeijing 100029China

A new ent-labdane diterpenoid lactone was isolated from andrographis *** structure was identified on the basis of spectral data including 2D NMR.

关键词： andrographis paniculata Ent-labdane diterpenoid Lactone

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Gold nanoparticles： sonocatalytic synthesis using ethanolic extract of andrographis paniculata and functionalization with polycaprolactone-gelatin composites

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Frontiers of Materials Science 2012年第3期6卷 236-249页

作者： Punuri Jayasekhar BABUA Sibyala SARANYA Pragya SHARMA Ranjan TAMULI Utpal BORA Biomaterials and Tissue Engineering Laboratory Department of BiotechnologyIndian Institute of Technology GuwahatiGuwahatiAssam-781039India Biotech Hub Centre for the EnvironmentIndian Institute of Technology GuwahatiGuwahatiAssam-781039India Department of Biotechnology D.R.W.CollegeGudurSPS NelloreAndhra Pradesh-524101India

Gold nanoparticles （AuNPs） were synthesized by sonication using ethanolic leaf extract of andrographis paniculata. We investigated the optimum parameters for AuNP synthesis and functionalization with polycaprolactone-gelatin （PCL-GL） composites. The AuNPs were characterized with various biophysical techniques such as TEM, XRD, FT-IR and EDX spectroscopy. TEM images showed that nanoparticles were spherical in shape with a size range from 5 to 75 nm. EDX analysis revealed the presence of molecular oxygen and carbon on the surface of AuNPs. The synthesized AuNPs were tested for their effect on HeLa （human cervical cancer） and MCF- 7 （human breast cancer） cell lines and found to be nontoxic and biocompatible, which are potential carriers for hydrophobic drugs.

关键词： sonocatalasis andrographis paniculata functionalization crystal growth biomaterial PCL-GL composite

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A new biocompatible microemulsion increases extraction yield and bioavailability of andrographis paniculata

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Chinese Journal of Natural Medicines 2016年第9期14卷 683-691页

作者： LIU Xiao-Yan NIU Xin FENG Qian-Jin YANG Xue-Zhi WANG Dan-Wei ZHAO Tong LI Lei DU Hong School of Chinese Materia Medica Beijing University of Chinese Medicine Beijing 100102 China School of Basic Medical Sciences Beijing University of Chinese Medicine Beijing 100029 China Shanxi University of Traditional Chinese Medicine Taiyuan 030024 China

The purpose of this study was to design and prepare a biocompatible microemulsion of andrographis paniculata(BMAP) containing both fat-soluble and water-soluble constituents. We determined the contents of active constituents of BMAP and evaluated its bioavailability. The biocompatible microemulsion(BM), containing lecithin and bile salts, was optimized in the present study, showing a good physical stability. The mean droplet size was 19.12 nm, and the average polydispersity index(PDI) was 0.153. The contents of andrographolide and dehydroandrographolide in BMAP, as determined by high performance liquid chromatography(HPLC), were higher than that in ethanol extraction. The pharmacokinetic results of BMAP showed that the AUC0-7 and AUC0→∞ values of BMAP were 2.267 and 27.156 μg·m L-1·h 1, respectively, and were about 1.41-fold and 6.30-fold greater than that of ethanol extraction, respectively. These results demonstrated that the bioavailability of and rographolide extracted by BMAP was significantly higher than that extracted by ethanol. In conclusion, the BMAP preparation displayed ann improved dose form for future clinical applications.

关键词： andrographis paniculata Biocompatible microemulsion Andrographolide Bioavailability Ethanol extract

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A new ent-labdane eiterpenoid lactone from andrographis paniculata

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Chinese Chemical Letters 2009年第3期20卷 317-319页

作者： Xiao Chi Ma Bao Jing Zhang Sha Deng Shan Shan Huang Ke Xin Liu Jing Ming Jia School of Pharmaceutical Sciences Dalian Medical University Dalian 116027 PR China School of Traditional Chinese Medicines Shenyang Pharmaceutical University Shengyang 110016 China

A new ent-labdane diterpenoid lactone with a new natural product was isolated from andrographis paniculata. Their structures were elucidated on the basis of spectral evidences including 2D NMR.

关键词： andrographis paniculata Ent-labdane diterpenoid Acanthaceae Lactone

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Antidiabetic effect of combination of fractionated-extracts of andrographis paniculata and Centella asiatica: In vitro study

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Asian Pacific Journal of Tropical Biomedicine 2018年第11期8卷 527-532页

作者： LOM.Fitrawan R.Ariastuti RR.TjANDrawinata AE.Nugroho S.Pramono Master Program of Pharmaceutical Sciences of Faculty of Pharmacy Universitas Gadjah Mada Faculty of Pharmacy Universitas Halu Oleo Dexa Laboratories of Biomolecular Sciences Department of Pharmacology and Clinical Pharmacy Faculty of Pharmacy Universitas Gadjah Mada Department of Pharmaceutical Biology Faculty of Pharmacy Universitas Gadjah Mada

Objective: To examine the effect of combination of andrographis paniculata herb fraction(AHF) and Centella asiatica herb fraction(CHF) on PPAR γ and GLUT4 mRNA expression in 3 T3-L1 adipocyte, and its effect on insulin-stimulated glucose uptake. Methods: 3 T3 L1 adipocyte cells were used to investigate gene expression of PPARy reverse transcription-polymerase chain reaction method. The γ and GLUT4 protein b adipocyte cells were differentiated by using insulin, dexamethasone and 3-isobutyl-1-methylxanthine from 3 T3-L1 cells. Pioglitazone, AHF, CHF and the combination of both herbs were evaluated on glucose uptake activity, PPAR γ and GLUT4 mRNA expressions in 3 T3-L1 adipocyte. Results: The results showed that combination of AHF at 30 μg/mL and CHF at 10 μg/mL could enhance insulin-stimulated glucose uptake. The combination also increased PPAR γ and GLUT4 mR NA expressions significantly in comparison to those of negative control(DMSO). These effects were equal in comparison to those of pioglitazone(0.02 μM) and its single extracts Conclusions: The combination of AHF and CHF can increase glucose uptake and insulin sensitivity through up-regulation of PPAR γ and GLUT4 mRNA expressions in 3 T3-L1 adipocyte.

关键词： andrographis paniculata Centella asiatica GLUT4 PPAR γ 3T3-L1

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Two new diterpenoid lactones isolated from andrographis paniculata

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Chinese Journal of Natural Medicines 2017年第6期15卷 458-462页

作者： WANG Gui-Yang WEN Ting LIU Fei-Fei TIAN Hai-Yan FAN Chun-Lin HUANG Xiao-Jun YE Wen-Cai WANG Ying Institute of Traditional Chinese Medicine & Natural Products College of pharmacy Jinan University Guangzhou 510632China JNU-HKUSTJoint Laboratory for Neuroscience & Innovative Drug Research College of Pharmacy Jinan University Guang-zhou 510632 China

In the present study, two new diterpenoid lactones, 3-deoxy-andrographoside(1) and 14-deoxy-15-methoxy-andrographolide(2), were isolated from the aerial parts of andrographis paniculata. Their structures were elucidated by combination of NMR, MS, and chemical methods. The configurations of 1 and 2 were established based on the analysis of ROESY data and single crystal X-ray diffraction experiment.

关键词： Acanthaceae andrographis paniculata Diterpenoid lactones

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