Docking simulation and ADMET prediction based investigation on the phytochemical constituents of Noni (Morinda citrifolia) fruit as a potential anticancer drug

[1]  N. S. Kumar,et al.  Guanidine–Curcumin Complex-Loaded Amine-Functionalised Hollow Mesoporous Silica Nanoparticles for Breast Cancer Therapy , 2022, Cancers.

[2]  Azar Zochedh,et al.  Investigation on structural, spectroscopic, DFT, biological activity and molecular docking simulation of essential oil Gamma-Terpinene , 2022, Journal of Molecular Structure.

[3]  R. Anitha,et al.  Synthesis, crystal structure, hirshfeld surface analysis, spectral and quantum chemical studies of pharmaceutical cocrystals of a bronchodilator drug (Theophylline) , 2022, Journal of Molecular Structure.

[4]  M. Fujita,et al.  Abiotic Stress and Reactive Oxygen Species: Generation, Signaling, and Defense Mechanisms , 2021, Antioxidants.

[5]  Erratum: Global cancer statistics 2018: GLOBOCAN estimates of incidence and mortality worldwide for 36 cancers in 185 countries. , 2020, CA: a cancer journal for clinicians.

[6]  H. Binder,et al.  ERK3/MAPK6 controls IL-8 production and chemotaxis , 2020, eLife.

[7]  Y. Akhter,et al.  Synthesis, quantum chemical study, AIM simulation, in silico ADMET profile analysis, molecular docking and antioxidant activity assessment of aminofuran derivatives , 2020 .

[8]  Yan Yang,et al.  In Silico Prediction of Human Intravenous Pharmacokinetic Parameters with Improved Accuracy , 2019, J. Chem. Inf. Model..

[9]  D. Sinclair,et al.  Mitohormesis and metabolic health: The interplay between ROS, cAMP and sirtuins. , 2019, Free radical biology & medicine.

[10]  R. Vyas,et al.  PREPARATORY PHYTOCHEMICAL SCREENING OF MEDICINAL PLANT Ziziphus mauritiana LAM. FRUITS , 2018 .

[11]  C. Bhattacharjee,et al.  Optimization and analysis of microwave-assisted extraction of bioactive compounds from Mimosa pudica L. using RSM & ANFIS modeling , 2018, Journal of Food Measurement and Characterization.

[12]  R. P. Vivek-Ananth,et al.  IMPPAT: A curated database of Indian Medicinal Plants, Phytochemistry And Therapeutics , 2017, bioRxiv.

[13]  Y. Mary,et al.  Spectroscopic investigations, NBO, HOMO-LUMO, NLO analysis and molecular docking of 5-(adamantan-1-yl)-3-anilinomethyl-2,3-dihydro-1,3,4-oxadiazole-2-thione , a potential bioactive agent , 2015 .

[14]  Richard Sullivan,et al.  The growing burden of cancer in India: epidemiology and social context. , 2014, The Lancet. Oncology.

[15]  D. Stewart,et al.  Mechanisms underlying chemopreventive effects of flavonoids via multiple signaling nodes within Nrf2-ARE and AhR-XRE gene regulatory networks , 2013 .

[16]  Zhi‐Xiang Yu,et al.  A Frontier Molecular Orbital Theory Approach to Understanding the Mayr Equation and to Quantifying Nucleophilicity and Electrophilicity by Using HOMO and LUMO Energies , 2012 .

[17]  Philippe P Roux,et al.  Activation and Function of the MAPKs and Their Substrates, the MAPK-Activated Protein Kinases , 2012, Microbiology and Molecular Reviews.

[18]  I. Uçar,et al.  A combined crystallographic, spectroscopic, antimicrobial, and computational study of novel dipicolinate copper(II) complex with 2-(2-hydroxyethyl)pyridine , 2012, Structural Chemistry.

[19]  Wong Phakhodee.  Distribution of Naturally Occurring Anthraquinones, Iridoids and Flavonoids from Morinda genus: Chemistry and Biological activity , 2012 .

[20]  P. Siripong,et al.  Anthraquinones and an iridoid glycoside from the roots of Morinda pandurifolia , 2011 .

[21]  Philippe P Roux,et al.  Activation and Function of the MAPKs and Their Substrates, the MAPK-Activated Protein Kinases , 2011, Microbiology and Molecular Reviews.

[22]  A. Ghasemzadeh,et al.  Antioxidant Activities, Total Phenolics and Flavonoids Content in Two Varieties of Malaysia Young Ginger (Zingiber officinale Roscoe) , 2010, Molecules.

[23]  O. Potterat,et al.  Morinda citrifolia (Noni) Fruit - Phytochemistry, Pharmacology, Safety , 2007, Planta medica.

[24]  J. Brillouet,et al.  The noni fruit (Morinda citrifolia L.) : A review of agricultural research, nutritional and therapeutic properties , 2006 .

[25]  P. Bessong,et al.  Further screening of Venda medicinal plants for activity against HIV type 1 reverse transcriptase and integrase , 2006 .

[26]  I. Calzuola,et al.  Comparative activity of antioxidants from wheat sprouts, Morinda citrifolia, fermented papaya and white tea , 2006, International journal of food sciences and nutrition.

[27]  A. Kinghorn,et al.  An anthraquinone with potent quinone reductase-inducing activity and other constituents of the fruits of Morinda citrifolia (noni). , 2005, Journal of natural products.

[28]  J. Blenis,et al.  ERK and p38 MAPK-Activated Protein Kinases: a Family of Protein Kinases with Diverse Biological Functions , 2004, Microbiology and Molecular Biology Reviews.

[29]  P. F. Nielsen,et al.  Isolation of peptides of the brevinin-1 family with potent candidacidal activity from the skin secretions of the frog Rana boylii. , 2003, The journal of peptide research : official journal of the American Peptide Society.

[30]  Mian-Ying Wang,et al.  Morinda citrifolia (Noni): a literature review and recent advances in Noni research. , 2002, Acta pharmacologica Sinica.

[31]  J. Kuriyan,et al.  Characterization of potent inhibitors of the Bcr-Abl and the c-kit receptor tyrosine kinases. , 2002, Cancer research.

[32]  W. Mcclatchey.  From Polynesian Healers to Health Food Stores: Changing Perspectives of Morinda citrifolia(Rubiaceae) , 2002, Integrative cancer therapies.

[33]  M. Thun,et al.  American Cancer Society Guidelines on Nutrition and Physical Activity for Cancer Prevention: Reducing the Risk of Cancer With Healthy Food Choices and Physical Activity , 2002, CA: a cancer journal for clinicians.

[34]  Elias S. J. Arnér,et al.  Reactive oxygen species, antioxidants, and the mammalian thioredoxin system. , 2001, Free radical biology & medicine.

[35]  J. Matés,et al.  Effects of antioxidant enzymes in the molecular control of reactive oxygen species toxicology. , 2000, Toxicology.

[36]  N. Walton,et al.  Chemicals from Plants: Perspectives on Plant Secondary Products , 1999 .

[37]  W. A. Whistler.  Traditional and herbal medicine in the Cook Islands. , 1985, Journal of ethnopharmacology.

[38]  Matloob Ahmad,et al.  Anticancer potential of phytochemicals against breast cancer: Molecular docking and simulation approach , 2014 .

[39]  I. Wistuba,et al.  ERK 3 signals through SRC-3 coactivator to promote human lung cancer cell invasion , 2018 .

[40]  J. Prashanth,et al.  Molecular geometry, NBO analysis, Hyperpolarizability and HOMO-LUMO energies of 2-azido-1-phenylethanone using Quantum chemical calculations , 2016 .

[41]  H. Alsaran.  Functional characterization of cancer-related mutations of ERK3 , 2016 .

[42]  Arthur J Olson,et al.  Small-molecule library screening by docking with PyRx. , 2015, Methods in molecular biology.

[43]  A. Douira,et al.  Etudes floristique et ethnobotanique des plantes médicinales de la ville de Kénitra (Maroc) , 2010 .

[44]  A. Ali,et al.  Antitumor promoting and actioxidant activities of anthraquinones isolated from the cell suspension culture of Morinda elliptica , 2003 .

[45]  T. N. Bhat,et al.  The Protein Data Bank , 2000, Nucleic Acids Res..