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| 1 | Identification of α-glucosidase inhibitors from Clinacanthus nutans leaf extract using liquid chromatography-mass spectrometry-based metabolomics and protein-ligand interaction with molecular docking显示文摘The present study used in vitro and in silico techniques, as well as the metabolomics approach to characterise α-glucosidase inhibitors from different fractions of Clinacanthus nutans. C. nutans is a medicinal plant belonging to the Acanthaceae family, and is traditionally used to treat diabetes in Malaysia. nHexane, n-hexane: ethyl acetate(1:1, v/v), ethyl acetate, ethyl acetate: methanol(1:1, v/v), and methanol fractions were obtained via partitioning of the 80% methanolic crude extract. The in vitro α-glucosidase inhibitory activity was analyzed using all the fractions collected, followed by profiling of the metabolites using liquid chromatography combined with mass spectrometry. The partial least square(PLS) statistical model was developed using the SIMCA P^+14.0 software and the following four inhibitors were obtained:(1) 4,6,8-Megastigmatrien-3-one;(2) N-Isobutyl-2-nonen-6,8-diynamide;(3) 1′,2′-bis(acetyloxy)-3′,4′-didehydro-2′-hydro-β, ψ-carotene; and(4) 22-acetate-3-hydroxy-21-(6-methyl-2,4-octadienoate)-olean-12-en-28-oic acid. The in silico study performed via molecular docking with the crystal structure of yeast isomaltase(PDB code: 3 A4 A) involved a hydrogen bond and some hydrophobic interactions between the inhibitors and protein. The residues that interacted include ASN259, HID295, LYS156, ARG335,and GLY209 with a hydrogen bond, while TRP15, TYR158, VAL232, HIE280, ALA292, PRO312, LEU313,VAL313, PHE314, ARG315, TYR316, VAL319, and TRP343 with other forms of bonding. | Suganya Murugesu Zalikha Ibrahim Qamar Uddin Ahmed Bisha Fathamah Uzir Nik Idris Nik Yusoff Vikneswari Perumal Faridah Abas Khozirah Shaari Alfi Khatib | 2019 | Journal of Pharmaceutical Analysis2019，9，2： | 1 |
| 2 | 查看详情显示文摘 | Jeletic M Lin P.H Le Roy J.J Korobkov I. Gorelsky S.I. Murugesu M | | 0，，： | 1 |
| 3 | The secret to 'doing better hydrological sci- ence' : change the question! 显示文摘 | Murugesu Sivapalan | 2009 | Hydrological Processes2009，23，9： | 1 |
| 4 | Modeling the crop transpiration using an optimality-based approach显示文摘Evapotranspiration constitutes more than 80% of the long-term water balance in Northern China.In this area,crop transpiration due to large areas of agriculture and irrigation is responsible for the majority of evapotranspiration.A model for crop transpiration is therefore essential for estimating the agricultural water consumption and understanding its feedback to the environment.However,most existing hydrological models usually calculate transpiration by relying on parameter calibration against local observations,and do not take into account crop feedback to the ambient environment.This study presents an optimality-based ecohydrology model that couples an ecological hypothesis,the photosynthetic process,stomatal movement,water balance,root water uptake and crop senescence,with the aim of predicting crop characteristics,CO2 assimilation and water balance based only on given meteorological data.Field experiments were conducted in the Weishan Irrigation District of Northern China to evaluate performance of the model.Agreement between simulation and measurement was achieved for CO2 assimilation,evapotranspiration and soil moisture content.The vegetation optimality was proven valid for crops and the model was applicable for both C3 and C4 plants.Due to the simple scheme of the optimality-based approach as well as its capability for modeling dynamic interactions between crops and the water cycle without prior vegetation information,this methodology is potentially useful to couple with the distributed hydrological model for application at the watershed scale. | Stanislaus J.Schymanski Murugesu Sivapalan | 2008 | Science China(Technological Sciences)2008，51，S2： | 1 |
| 5 | Controllability for a Class of Fractional Neutral Integro - differential Equa- tions with Unbounded Delay显示文摘 | Vijayakumar V Selvakumar A Murugesu R | 2014 | Applied Mathematics and Computation2014，232，： | 1 |
| 6 | Field Exploration of Coupled Hydrological and Biogeochemical Catchment Responses and a Unifying Perceptual Model显示文摘 | Carlos J O Murugesu S Carolyn E O | 2006 | Advances in Water Resources2006，29，： | 1 |
| 7 | Modeling of rainfall time series and extremes using bounded random cascades and Levy-stable distributions显示文摘 | Merab M Murugesu S | 2000 | Water Resources Research2000，36，11： | 1 |
| 8 | Leadership and management in the undergraduate medical curriculum: a qualitative study of studentsI attitudes and opinions at one UK medical school显示文摘 | Quince T Abbas M Murugesu S | 2014 | BMJ Open2014，4，00： | 1 |
| 9 | Climate, Soil, and Vegetation Controls upon the Variability of Water Balance in the Temperate and Semiarid Landscapes: Downward Approach to Water Balance Analysis显示文摘 | Darren Farmer Murugesu Sivapalan Chatehai Jothityangkoon | 2003 | Water Resources Research2003，39，2： | 1 |
| 10 | Mixed 3d/4d and 3d/4f metal clusters: tetranuclear Fe2^Ⅱ M2^Ⅱ (Mr^Ⅱ= Ln, Y) and Mn2^Ⅱ M2^Ⅱ (M^Ⅱ = Yb, Y) complexes, and the first Fe/4f single-molecule magnets 显示文摘 | Murugesu M Mishra A Wernsdorfer W | 2006 | Polyhedron2006，25，： | 1 |
| 11 | 更加高能低感的CN7^-高能量密度材料显示文摘具有最高氮含量的二元C-N阴离子,叠氮四唑离子—CN7^-,因其极高的能量密度受到广泛关注,但由于CN7^-的不稳定性,以此合成新型低感的高能量密度材料存在极大难度.本文制备出一种新型高能加合物[NH3OH][CN7][NH2OH],该化合物在所有已知的CN7^-化合物中表现出最好的爆轰性能与最低的机械感度.为了探索NH2OH分子对含能化合物性质的影响,我们合成了另一种含能盐[NH3OH][CN7],并对其与加合物[NH3OH][CN7][NH2OH]的结构与性能进行了比较.结果表明NH2OH及其氢键作用对于改善CN7^-的热稳定性和机械感度起到了重要作用. | 孙琦 李鑫 Christopher Bamforth 林秋汉 Muralee Murugesu 陆明 | 2020 | Science China Materials2020，63，9： | 1 |
| 12 | Single-molecule magnets:a Mn25 complex with a record S = 51/2 spin for a molecular species显示文摘 | Habryeh M Wernsdorfer W | 2004 | J Am Chem Soc2004，126，15： | 1 |
| 13 | A reaction-diffusion model of forest boundary with seed dynamics显示文摘 | J. Rajasingh R. Murugesu P. Syed Shabudeen | 2015 | International Journal of Biomathematics2015，8，3： | 0 |
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