Estimation of drug-likeness properties of GC–MS separated bioactive compounds in rare medicinal Pleione maculata using molecular docking technique and SwissADME in silico tools
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Abdulaziz AA, Dabar MLG, Manting MM, Torres MAJ, Aranas AT, Mindo RAR, Cabrido CK, Demayo CG (2019) Qualitative evaluation of the antimicrobial, antioxidant and medicinally important phytochemical constituents of the ethanolic extracts of the leaves of Gliricidia sepium (JACQ) WALP. Pharmacophore 10(4):72–83
Abubakar NM, Majinda TRR (2016) GC-MS analysis amd Preliminary antimicrobial activity of Albizia adianthifolia (Schumach) and Pterocarpus angolensis (DC). Medicines 3(3):1–9. https://doi.org/10.3390/medicines3010003
Adeoye-Isijola OM, Olajuyigbe OO, Jonathan GS, Coopoosamy MR (2018) Bioactive compounds in ethanol extract of Lentinus squarrosulus Mont- A Nigerian medicinal macrofungus. Afr J Complement Altern Med 15(2):42–50. https://doi.org/10.21010/ajtcamv15i2.6
Agboke AA, Attama AA (2016) Bioactive components and antibacterial activities of n-Hexane extract of Moringa oleifera root bark on clinical isolates of methicillin resistant Staphylococcus aureus. Int J Curr Res Chem Pharm Sci 3(3):1–9
Agrawal A, Srivastava K, Puri SKK, Chauhan PMS (2005) Synthesis of 2,4,6-trisubstituted pyrimidines as anti-malarial agents. Bio Med chem 13(5):4645–4650. https://doi.org/10.1016/j.bmc.2005.04.061
Al-Gara’awi NI, (2019) Analysis of bioactive phytochemical compound of (Cyperus alternifolius L.) By using gas chromatography- mass spectrometry. IOP Conf Ser Mater Sci Eng 571:1–19. https://doi.org/10.1088/1757-899X/571/1/012047
Al-Marzoqi AH, Hadi MY, Hameed IH (2016) Determination of metabolites products by Cassia angustifolia and evaluate antimicrobial activity. J Pharm Phytotherapy 8(2):25–48. https://doi.org/10.5897/JPP2015.0367
Alagammal M, Soris PT, Mohan VR (2012) GC-MS analysis of Polygala rosmarinifolia Wights & Arn. J App Pharm Sci 2(4):188–190. https://doi.org/10.7324/JAPS.2012.2504
Anand K, Ziehbuhr J, Wandhwani P, Meters JR, Hilgenfield R (2003) Coronavirus main proteinase (3CL pro) structure: basis for design of anti-SARS. Sciencexpress 300(5626):1763–1767. https://doi.org/10.1126/cience.1085658
Andrusier N, Nussinov R, Wolfson HJ (2007) FireDock: Fast iteration refinement in molecular Docking. Proteins 69(1):139–159. https://doi.org/10.1002/prot.21495
Ansarali S, Manikandan S, Lakshmanan GMA (2018) Identification of biological components from potential bone healer medicinal plants. J Drug Del Ther 8(3):32–41. https://doi.org/10.22270/jddt.v8i3.1762
Aparna V, Dileep VK, Mandal KP, Karthe P, Sadasivan C, Haridas M (2012) Anti-inflammatory property of n-Hexadecanoic acid: structural evidence and kinetic assessment. Chem Biol Drug Design 80(3):434–439. https://doi.org/10.1111/j.1747-0285.2012.01418.x
Asaraja A, Sahayaraj K (2013) Screening of insecticidal activity of brown macroalgal extracts against Dysdercus cingulatus (Fab.) (Hemiptera: Pyrrhocoridae). J Biopest 6(2):193–203
Autore G, Marzocco S, Palladino C, Saturnino C, Sinicropi S, Spagnuolo A, Vivacqua E, Capasso A (2010) New amides of arachidonic acid as potential anti-inflammatory drugs: a preliminary study. Biomed Res 21(4)
Babar AG, Pande A, Kulkarni BG (2016) Anti-fungal activity and investigation of bioactive compounds of marine intertidal bivalve Gafrarium divaricatum from West coast of India. Int J Pure App Bio 4(2):211–217. https://doi.org/10.18782/2320-7051.2273
Balamurugan TSB, Gunanithi M, Raja I, Vinothkumar D, Ramesh Babu NG, Sumanthi S, Aneesh N, Florida T (2017) Antidiabetic potential of various traditional medicinal plants and in silico validation. Eur J Biotech Biosci 5(2):34–40
Balasubramani S, Sabapathi G, Moola AK, Solomon RV, Venuvanalingam P, Diana RKB (2018) Evaluation of the leaf essential oil from Artemisia vulgaricus and its larvicidal and repellent activity against dengue fever vector Aedesaegypti- an experimental and molecular docking investigation. Am Chem Soc Pub 3:15657–15665. https://doi.org/10.1021/acsomega.8b01597
Barry OP, Practico D, Lawson JA, FitzGerald GA (1997) Trancellular activation of platelets and endothelial cells by bioactive lipids in platelet microparticles. J Clin Invest 99(9):2118–1227
Bhattacharya M, Sharma AR, Patra P, Ghosh P, Sharma G, Patra BC, Lee S, Chakraborty C (2020) Development of epitope-based peptide vaccine against novel coronavirus 2019 (SARS-COV-2): Immunoinformatics approach. Med Virol 92:618–631. https://doi.org/10.1002/jmv.25736
Bronowska AK (2011) Thermodynamics of ligand-protein interaction. Implication for molecular design thermodynamic-interaction studies-solid, liquid and gases. In Dr. Juan Carlos Moreno pirajajn (ed) InTech. Thermodynamics. 1–48. https://doi.org/10.5772/19447
Chandrasekar T, Rao KRM, Kumar VR, Prabhu K, Kumar NS, Divya D (2015) GC-MS analysis, antimicrobial, antioxidant activity of an Ayurvedic medicine, Nimbapatradi Choornam. J Chem Pharm Res 7(8):124–136
Chauhan S, Sharma S (2017) Conservation of rare and endangered therapeutically important orchid Pleione maculata (Lindl.) Lindl. & Paxton through pseudobulb culture In-vitro. Ind J Sci Res 15(1):22–26
Chen C, Tong Z, Liao D, Li Y, Yang G, Li M (2014) Chemical composition and antimicrobial and DPPH scavenging activity of essential oil of Toona sinensis (A. Juss) Roem from China. BioResources 9(3):5262–5278
Chidambaram N, Zhou L, Cohen JS (1996) Targeting of antisense: synthesis of steroid-linked and steroid-bridged oligonucleotides. Drug Deliv 3(1):27–33. https://doi.org/10.3109/10717549609031378
Chidambarampillai ST, Mohan VR (2013) GC-MS analysis of bioactive components of aerial parts of Fluggea leucopyrus Willd (Euphorbiaceae). J App Pharm Sci 3(5):126–130
Da Silva DLL, Nascimento DSM, Silva SHD, Furlan M, Bolzani SV (2003) Antibacterial activity of a stearic acid derivative from Stemodia foliosa. Planta Med 68(12):1137–1139
Daina A, Michielin O, Zoete V (2003) SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules. Nat Sci Rep. https://doi.org/10.1038/srep42717
Darmasiwi S, Indriani V, Innata D, Semiarti E (2015) The potential production of Aromatic Compounds in Flowers of Vanda tricolor. In: The 5th International conference on Mathematics and Natural Sciences 090006- 1- 090006–4. https://doi.org/10.1063/1.4930751 . Accessed 25 Apr 2020
Das NU, Madhavi N (2011) Effect of polyunsaturated fatty acids on drug-sensitive and resistant tumor cells in vitro. Lipids Health Dis 10(159):1–35. https://doi.org/10.1186/1476-511X-10-159
De Kock N (2016) Targeted analysis of bioactive steroids and oxycholesterols. Method Dev Appl 1:41
De LC, Medhi RP (2015) Orchid-A diversified component of farming systems for profitability and livelihood security of small and marginal farmers. J Glob Biosci 4(2):1393–1406
De Sousa DP, Raphael E, Brocksom U (2007) Sedative effect of monoterpene alcohols in mice: a preliminary screening. Zeit fur Nat C J Biosci. https://doi.org/10.1515/znc-2007-7-816
Dinesh MD, Carmel A, George N, Ajma N, Anjana JC, Meenatchisundaram S (2016) Terminaliachebula-A potential natural herbal drug against mastitis isolates. IOSR J Agri Vet Sci 9(10):64–69
Doss CGP, Chakraborty C, Chen L, Zhu H (2014) Integrating In silico prediction methods, molecular docking and molecular dynamics simulation to predict the impact of ALK Missense mutations in structural perspective. BioMed Res Int 2014:1–15. https://doi.org/10.1155/2014/895831
Dreosti IE (1996) Bioactive ingredients: antioxidants and polyphenols in tea. Nutrit Rev 54(11):S51–S58. https://doi.org/10.1111/j.1753-4887.1996.tb03819.x
Dua S, Garg N (2013) Biochemical methods of analysis. Narosa Publishing House, New Delhi
Duhovny D, Nussinov R, Wolfson HJ (2002) Efficient unbound docking of rigid molecules. Algorith Bioinform Springer Ver 2452:185–200. https://doi.org/10.1007/3-540-45784-4_14
Easwaran L, Ramani AV (2014) Phytochemical examination and GC–MS studies of the medicinal plant- Naravelia zeylanica. Int J Res Dev Pharm Life Sci 3(5):1180–1188
Ekor M (2014) The growing use of herbal medicines: issues relating to adverse reactions and challenges in monitoring safety. Front Pharm 4(177):1–10. https://doi.org/10.3389/fphar.2013.00177
Elaiyaraja A, Chandramohan G (2016) Comparative phytochemical profile of Indoneesiella echioides (L.) Nees leaves using GC–MS. J Pharm Phytochem 5(6):158–171
Elumalai D, Hemalatha P, Kaleena PK (2015) Larvicidal activity and GC-MS analysis of Leucas aspera against Aedes aegyptiAnopheles stephensi and Culex quinquefasciatus. J Saud Soc Agri Sci 16(4):306–313. https://doi.org/10.1016/j.jssas.2015.10.003
Eswaraiah G, Peele KA, Krupanidhi S, Kumar BR, Venkateswarulu TC (2020) Identification of bioactive compounds in leaf extract of Avicennia alba by GC-MS analysis and evaluation of its in-vitro anticancer potential against MCF7 and HeLa cell lines. J King Saud Univ-Sci 32(1):740–744. https://doi.org/10.1016/j.jksus.2018.12.010
Ezekiel A, Zubai S, Abiodun O, Iqbal J (2018) GC-MS analysis and anti-diabetic potentials of Bridelia micrantha crude extracts. Integr Mol Med 5(4):1–5
Fang Li (2016) Strcuture, function, and evolution of Coronavirus spike protein. Annu ReV Virol 3(1):237–261. https://doi.org/10.1146/annurev-virology-110615-042301
Gastner T, Krimmer PH (2013) US Patent 8,501,810 B2; 2013. Date of patent- 6 Aug 2013; 1–8
George LO, Radha HR, Somasekariah BV (2018) In vitro anti-diabetic activity and GC-MS analysis of bioactive compounds present in the methanol extract of Kalanchoe pinnata. Ind J Chem 57B:1213–1221
Ghosal S, Srivastava KA (2013) Fundamentals of Bioanalytical techniques and instrumentation. Raj Press, New Delhi
Gideon AV (2015) GC-MS analysis of phytochemical components of Pseudoglochidion anamalayanum Gamble: an endangered medicinal tree. As J Plant Sci Res 5(12):36–41
Gopinath S, Sakthidevi G, Muthukumaraswamy S, Mohan VR (2013) GC-MS Analysis of bioactive constitutes of Hypericum mysorense (Hypericaceae). J Curr Chem Pharm Sci 3(1):6–15
Groneberg DA, Hilgenfield R, Zabel P (2005) Molecular mechanism of severe acute respiratory syndrome (SARS). Resp Res 6(8):1–16. https://doi.org/10.1186/1465-9921-6-8
Gulam M, Ali NK, Kamal MK, Mayur P (2016) Antisense therapy and its application in biopharmaceutical research: past, present and future. As Pac J Pharm App Sci 61–69
Guo F, Cheng Li S, Wang L, Zhu D (2012) Protein-protein binding site identification by enumerating the configurations. BMC Bioinform 13(158):1–25. http://www.biomedcentral.com/1471-2105/13/158
Gurnani N, Gupta M, Mehta D, Mehta KB (2015) Chemical composition, total phenolic and flavonoid contents, and in vitro antimicrobial and antioxidant activities of crude extracts from red chilli seeds (Capsicum frutescens L.). J Taib Univ Sci. https://doi.org/10.1016/j.jtusci.2015.06.011
Hadi MY, Mohammed GJ, Hameed IH (2015) Analysis of bioactive chemical compounds of Nigella sativa using Gas chromatography-mass spectrometry. J Pharm Phytotherapy 8(2):8–24. https://doi.org/10.5897/JPP2015.0364
Hall DC, Ji H-F (2020) A search for medications to treat COVID-19 via in silico molecular docking models of the SARS-CoV-2 spike glycoprotein and 3CL protease. Trav Med Inf Dis. https://doi.org/10.1016/j.tmaid.2020.101646
Hamada HM, Awad M, El-Hefny M, Moustafa MAM (2018) Insecticidal activity of garlic (Allium sativum) and ginger (Zingiber officinale) oils on the cotton leaf worm, Spodoptera littoralis (Boisd) (Lepidoptera:Noctuidae). Afri Entomo 26(1):84–94. https://doi.org/10.4001/003.026.0084
Hameed IH, Altameme HJ, Idan SA (2016) Artemisia annua: bioachemical products analysis of methanolic aerial parts extract and anti-microbial capacity. Res J Pharm Biol Chem Sci 7(2):1843–1868
Hussein MH (2016) Analysis of trace heavy metals and volatile chemical compounds of Lepidium sativum using atomic absorption spectroscopy, gas chromatography-mass spectrometric and fourier-transform infared spectroscopy. Res J Pharm Biol Chem Sci 7(4):2529–2555
Ingole NS (2016) Phytochemical analysis of leaf extract of Ocimum americanum L. (Lamiaceae) by GC-MS method. World scientific news 76–87
Iyamah P, Famuti A, Idu M (2017) GC-MS and molecular docking studies for identification of anti-malarial compounds in PMII-a polyherbal formulation. Chem Res J 2(1):46–56
Jacobson M (1969) Sex pheromone of the pink bollworm moth: biological masking by its geometrical isomer. Science 163(3863):190–191. https://doi.org/10.1126/science.163.3863.190
Jahan Y, Mahmood T, Bagga P, Kumar A, Singh K, Mujahid M (2015) Future prospects of cough treatment, herbal medicines v/s modern drugs. Int J Pharm Sci Res 6(9):1000–1009
Javitt NB (1990) 26-Hydroxycholesterol: synthesis, metabolism and biologic acitivities. J Lipd Res 31:1527–1533
Jialal I, Grundy MS (1992) Effect of dietary supplementation with alpha-tocopherol on the oxidative modification of low density lipoprotein. J Lipd Res 33(6):899–906
Jothi SR, Uttayakumari F, Bharathy V (2015) Phytochemical profile of leaf samples of subspecies of Senna italic Mill. Bioscience Discovery 6(2):106–111
Julsrigival J, Songsak T, Kirdmanee C, Chansakaow S (2013) Determination of volatile constituents of Thai fragrant orchids by gas chromatography-mass spectrometry with solid-phase microextraction. J Nat Sci 12(1):43–56
Karthi S, Vinothkumar M, Karthic U, Manigandan V, Saravanan R, Vasantha-Srinivasan P, Kamaraj C, Shivakumar MS, De Mandal S, Velusamy A, Krutmuang P, Senthil-Nathan S (2020) Biological effects of Avicennia marina (Forssk.) Vierh Extractson physiological, biochemical, and anti-microbial activitiesagainst three challenging mosquito vectors and microbial pathogens. Env Sci Pol Res. https://doi.org/10.1007/s11356-020-08055-1
Karunanithi A, Venkatachalam S (2019) Optimization of ultrasound-assisted extraction of phenolic compounds from wood apple pulp: identification of phytochemical using GC-MS. Chem Ind Chem Eng Quart 25(4):361–368
Khalil MN, Shalaby AE, Ali AIMD, Ali ME, Aboul-Enein MA (2014) Biological activities of secondary metabolites from Emericella nidulans EGCU 312. Afri J Microbiol Res 8(20):2011–2021. https://doi.org/10.5897/AJMR2014.6827
Khan K, Firdous S, Ahmad A, Muhammad N, Rasheed M, Faizi S (2016) GC-MS profile of antimicrobial and antioxidant fractions from Cordia rothii roots. Pharma Biol 54(11):2597–2605. https://doi.org/10.3109/13880209.2016.1172320
Kim TK, Chen J, Li W, Zjawiony J, Miller D, Janjetovic Z, Tuckey RC, Slominski A (2009) A new steroidal 5,7-diene derivative, 3-beta-hydroxyandrosta-5,7-diene-17beta-carboxylic acid, shows potent anti-proliferative activity. Europe PMC 75(3):230–239. https://doi.org/10.1016/j.steroids.2009.12.004
Kim SS, Kim JE, Hyun CGu, Lee NH (2011) Neolitsea aciculate essential oil inhibits drug-resistant skin pathogen growth and Propionibacterium acnes-induced inflammatory effects on human monocyte leukemia. Nat Prod Com 6(8):1193–1198
Kondo S, Mamada A, Yamaguchi J, Fukuro S (1990) Protective effect of DL-alpha-tocopherol on the cytotoxicity of ultraviolet B against human skin fibroblasts in vitro. Europe PMC 7(4):173–177
Kumar D, Arora S, Verma A (2013) Fatty acid composition and antimicrobial and antioxidant activity of Cassla glauca seed extracts. Int J Phytopharm 4(2):113–118
Kumar R, Deka CB, Roy RA (2012) Evaluation of orchid species under sub-tropical mid-hills of Meghalaya. HortFlora Res Spect 1(1):24–28
Kumar M, Kumar D, Raj V (2017) Studies on Imidazole and its derivatives with particular emphasis on their chemical/biological applications as bioactive molecules intermediated to bioactive molecules. Curr Synth Syst Biol 5(1):1–10. https://doi.org/10.4172/2332-0737.1000135
Kumar PP, Kumaravel S, Lalitha C (2010) Screening of antioxidant activity, total phenolic s and GC-MS study of Vitex negundo. Afri J Biochem Res 4(7):191–195
Kumar NN, Ramakrishnaiah H, Krishna V, Deepalakshmi PA (2015) GC-MS analysis and antimicrobial activity of seed oil of Broussonetia papyrifera (L.) Vent. Int J Pharm Sci Res 6:3954–3960
Kumaravel S, Bhabh PK, Singaravadivel K (2016) GC-MS and FT-IR analysis of the spice ajwain (Trachyspermum ammi). Int J Mod Res Rev 4(3):1114–1120
Kumaravel S, Muthukumaran P, Thomas N (2019) Phytochemical, GC-MS and FT-IR analysis of Papver somniferum L. J Pharm Biol Sci 7(1):1–8
Lakshmi VTP, Rajalakshmi P (2011) Identification of phyto-components and its biological activities of Aloe vera through the gas chromatography–mass spectrometry. Int Res J Pharm 2(5):247–249
Lalithi S, Parthipan B, Mohan VR (2015) Determination of bioactive components of Psychotria nilgiriensis Deb & Gang (Rubiaceae) by GC-MS analysis. Int J Pharm Phytochem Res 7(4):802–809
Lawal B, Shittu OK, AbdulRasheed-Adeleke T, Ossai PC, Ibrahim AM (2015) Determination of bioactive constituents of giant African snail (Archachatina maginata) Haemolymph. J Pharm Biol Sci 10(2):59–64
Lindley, Paxton (1851) Pleione maculata. Flora of China 25: 326–327. http://www.efloras.org/florataxon.aspx?flora_id=2&taxon_id=242424455.
Lipinski CA, Lombardo F, Dominy BW, Feeny PJ (1997) Experimental and computational approaches to estimate solubility and permeability in drug discovery and development setting. Adv Drug Del Rev 23(1–3):3–25. https://doi.org/10.1016/S0169-409X(96)00423-1
Maiti S, Banerjee A (2020) Epigallocatechin gallate and theaflavin gallate interaction in SARS-COV-2 spike-protein central channel with reference to the hydroxychloroquine interaction: bioinformatics and molecular docking study. Drug Dev Res. https://doi.org/10.1002/ddr.21730
Mashiach E, Schneidman-Duhovny D, Andruisier N, Nussinov R, Wolfson HJ (2008) FireDock: a web server for fast interaction refinement in molecular docking. Nucl Acids Res 36:w229–w232. https://doi.org/10.1093/nar/gkn186
Mohammad H, Prabhu K, Rao MRK, Sundram L, Dinakar S, Kumar MS, Vijayalakshmi N (2019) The gas chromatography-mass spectrometry study of one Ayurvedic pain relieving oil ‘Karpooradi Thailam.’ Drug Invent Today 12(7):1542–1546
Muthukrishnan S, Thinakaran R (2012) Chemical investigation of Pseudarthria viscida root by GC-MS analysis. Pharmacog Comm 2(3):26–29. https://doi.org/10.5530/pc.2012.3.6
Naidu RJ, Ismail BR, Yeng C, Sasidharan S, Kumar P (2012) Chemical composition and antioxidant activity of the crude methanolic extracts of Mentha spicata. J Physio 4(1):13–18
Oduje AA, Awode A, Edah A, Sagay I (2015) Characterization and phytochemical screening of Hexane oil extract from Cissus aralioides seeds. Int J Sci Eng Res 6(1):112–116
Okereke SC, Ijeh II, Arunsi UO (2017) Determination of bioactive constituents of Rauwolfia vomitoria Afzel (Asofeyeje) roots using gas chromatography-mass spectrometry (GC-MS) and Fourier transform infrared spectrometry (FT-IR). As J Pharm Pharmacol 11(2):25–31. https://doi.org/10.5897/AJPP2016.4712
Otaibi AA, McCluskey A (2013) Multicomponent reactions in Ionic liquids. Chapter-18, Ionic Liquids-New aspects for the future. IMTECH, pp 458–498
Padma M, Ganesan S, Jayaseelan T, Azhagumadhavan S, Sasikala P, Senthikumar S, Mani P (2018) Phytochemical screening and GC-MS analysis of bioactive compounds present in ethanolic leaves extract of Silybum marianum (L.). J Drug Del Therap 9(1):85–89
Palakkal L, Hukuman NHZ, Mullapally J (2017) Anti-oxidant activities and chemical composition of various crude extracts of Lepidagathis keralensis. J App Pharm Sci 7(6):182–189. https://doi.org/10.7324/JAPS.2017.7062
Panda PK, Arul MN, Patel P, Verma SK, Luo W, Rubahn HG, Mishra YK, Suar M, Ahuja R (2020) Structure-based drug designing and immunoinformatics approach for SARS-COV-2. Sci Adv 6:1–14
Pant B (2003) Medicinal orchids and their uses: tissue culture a potential alternative for conservation. Afri J Plant Sci 7(10):445–467. https://doi.org/10.5897/AJPS2013.1031
Pantsar T, Poso A (2018) Binding affinity via docking: fast and fiction. Molecules 23(1899):1–11. https://doi.org/10.3390/molecules23081899
Paulpriya K, Tresina PS, Mohan VR (2014) Assessment of bioactive constituents by GC-MS of Crotalaria longipes Wight & Arn: An endemic plant. Int J Pharm Phytochem Res 6(4):1043–1048
Pereira DM, Correia-da-silva G, Valentao P, Teixeira N, Andrade PB (2014) Anti-inflammatory effect of unsaturated fatty acid acids and Ergosta-7,22-dien-3-ol from Marthasterias glacialis. Prevention of CHOP-Mediated ER-stress and NF-kB activation. PLoS ONE 9(2):e88341. https://doi.org/10.1371/journal.pone.0088341
Pinto AEM, Araujo GS, Morais IM, Sa PN, Lima MC, Rosa AC, Siqueira PE, Johann S, Lima SRAL (2017) Antifungal and antioxidant activity of fatty acid methyl esters from vegetable oils. Ann Braz Acad Sci 89(3):1671–1681. https://doi.org/10.1590/0001-376520172016090
Plainfosse H, Burger P, Azoulay S, Landreau A, Verger-dubois G, Fernandez X (2017) Development of a natural-age ingredient based on Quercus pubescens wild leaves extract—a case study. Cosmetics 1(15):1–22. https://doi.org/10.3390/cosmetics5010015
Prabhadevi V, Sathish S, Johnson M, Venkatramani B, Janakiraman N (2012) Phytochemical studies on Allamanda cathartica L. using GC-MS. As Pac J Trop Med S550–S554
Prabhu DS, Rajeswari VD (2016) In silico docking analysis of bioactive compounds from chinese medicine Jinqi Jiangtang Tablet (JQJTT) using Patch Dock. J Chem Pharm Res 8(5):15–21
Qamar MTU, Alqahtani SM, Alamri MA, Chen LL (2020) Structural basis of SARS-CoV-2 3CLpro and anti-COVID-19 drug discovery from medicinal plants. J Pharm Anal. https://doi.org/10.1016/j.jpha.2020.03.009
Qurzeddine W, Fadel H, Mechehoud Y, Chalchat JC, Figueredo G, Chalard P, Benayache F, Benayache S (2017) Chemical composition and antioxidant activity of the fruit essential oil of Zizyphus lotus (L.) Desf. (Rhamanaceae). Int J Pharma Phytochem Res 9(2):228–232
Rajalakshmi K, Mohan VR (2016) Determination of Bioactive components of Myxopyrum serratulum A. W. HILL (Oleaceae) stem by GC-MS analysis. Int Res J Pharm 38(1):30–35
Rajashyamala G, Elango V (2015) Identification of bioactive components and its biological activities of Evolvulus alsinoides linn: a GC-MS study. Int J Chem Stud 3(1):41–44
Rajendra P, Bharathidasan R, Sureshkumar K (2017) GC-MS analysis of phyto-components in raw and treated sugarcane juice. Int J Curr Microbiol App Sci 6(7):51–61. https://doi.org/10.20546/ijcmas.2016.501.007
Rajeswari G, Murugan M, Mohan RV (2013) GC-MS analysis of bioactive components of Hugonia mystax L. bark (Linaceae). J Pharm Biomed Sci 29(29):818–824
Rane JS, Chatterjee A, Kumar A, Ray S (2020) Targeting SARS-CoV-2 spike protein of COVID-19 with naturally occurring phytochemicals: an In silico study for drug development. ChemRxiv. https://doi.org/10.26434/chemrxiv.12094203.v1
Rautela I, Sharma MD, Sharma N, Kishor K, Singh K, Sharma N (2018) Comparative GC-MS analysis of leaf and root extract of medicinal plant Withania somnifera. World J Pharm Res 7(2):956–972
Ren R, Hashimoto T, Mizuno M, Takigawa H, Yoshida M, Azuma T, Kanazawa K (2013) A lipid peroxidation product 9-oxononanoic acid induces phospholipase A2 activity and thromboxane A2 production in human blood. J Clin Biochem Nutri 52(3):228–233. https://doi.org/10.3164/jcbn.12-110
Rizvi SI, Mishra N (2013) Traditional Indian medicines used for the management of Diabetes Mellitus. J Diab Res10.115/2013/712092
Sadler JJ, Smith MJ, Zettler WL, Alborn TH, Richardson WL (2011) Fragrance composition of Dendrophylax lindenii (Orchidaceae) using a novel technique applied in situ. Euro J Env Sci 1(2):137–141. https://doi.org/10.14712/23361964.2015.56
Saeidnia S, Manayi A, Gohari AR, Abdollahi M (2014) The story of Beta-sitosterol—a review. Euro J Med Plnt 4(5):590–609. https://doi.org/10.9734/EJMP/2014/7764
Sahin N, Kula I, Erdogan Y (2006) Investigation of antimicrobial activities of nonanoic acid derivatives. Fresenius Environ Bull 15(2):141–143
Sardar R, Satish D, Birla S, Gupta D (2020) Comaprative analyses of SARS-CoV2 genomes from different geographical locations and other coronavirus family genomes reveals unique features potentially consequential to host-virus interaction and pathogenesis. BioRxiv. https://doi.org/10.1101/2020.03.21.001586
Sathiyabalan B, Packia LM, Muthukumarasamy S, Mohan VR (2014) GC-MS Analysis of bioactive components of Petiveria alliacea L. whole plant (Phytolaccaceae). Int J Pharm Res Health Sci 2(5):387–392
Saxena M, Faridi U, Srivastava SK, Darokar MP, Mishra R, Pal A, Shisodia B, Khanuja SPS (2007) A cytotoxic and Hepatoprotective agent from Withania somifera and biological evaluation of its Ester derivatives. Nat Prod Comm 2(7):775–778. https://doi.org/10.1177/2F1934578X0700200714
Schneidman-Duhovny D, Inbar Y, Nussinov R, Wolfson HJ (2005) PatchDock and SymmDock: servers for rigid and symmetric docking. Nucl Acids Res 33:W363-367. https://doi.org/10.1093/nar/gki481
Selvan PS, Velavan S (2015) Analysis of bioactive compounds in methanol extracts of Cissus vitiginea leaf using GC-MS technique. Rasayan J Chem 8(4):443–447
Sharad S (2019) Antisense therapy: an overview. Henry Jackson foundation for the advancement of military medicine, Bethesda
Sharma V, Chitranshi N, Agarwal AK (2014) Significance and biological importance of pyrimidine in the microbial world. Int J Med Chem 2014:1–31. https://doi.org/10.1155/2014/202784
Shen M, Zhou Y, Ye J, Al-maskri AAA, Kang Y, Zeng S, Cai S (2020) Recent advances and perspectives of nucleic acid detection for coronavirus. J Pharm Anal. https://doi.org/10.1016/j.jpha.2020.02.010
Shree LR (2012) Efficacy of supplementation of flaxseed and soybean on post-operative cancer patients. Thassim Beevi Abdul Kader College for Women, Chennai
Shweta M, Rashmi D (2019) In-vitro ADME studies of TUG-891, a GPR-120 inhibitor using Swiss ADME. J Drug Del Therap 9(2):266–369. https://doi.org/10.22270/jddt.v9i2-s.2710
Singh K, Kaur T (2016) Pyrimidine-based antimalarials: design stragtegies and antiplasmodial effects. MedChem Comm. https://doi.org/10.1039/C6MD00084C
Singh S, Srivastava HK, Kishor G, Singh H, Agrawal P, Raghava GPS (2017) Evaluation of protein-ligand docking methods on peptide-ligand complexes for docking small ligands to peptides. BioRxiv. https://doi.org/10.1101/212514
Singh AK (2016) Structure, synthesis and application of nanoparticles. Engineered nanoparticles, Structure, properties and mechanisms of toxicity
Subavathy P, Thilaga RD (2016) GC-MS analysis of bioactive compounds from whole body tissue methanolic extract of Cypraea arabica (L.1758). World J Pharma Res 5(3):800–806
Suffo AKL, Ashish R, Tedonkeng PE, Kuiate JR (2016) Effect of processing methods on chemical composition and antioxidant activities of two Amaranthus Sp. Harvested in West Region of Cameroons. J Nutri Food Sci 6(2):1–9
Sujatha K, Sivakamasundari MC (2014) GC-MS analysis of phytocomponents and total anti-oxidant activity of hexane extract of Sinapis alba. Int J Pharm Chem Biol Sci 4(1):112–117
Sujatha K, Vijayalakshmi V (2013) Foliar application of Caulerpa racemosa seaweed extract as bio-stimulant for enhancement of growth and yield of blackgram (Vigna mungo L.). Int J Adv Res Tech 2(10):216–230
Sulthanabegam M, Palani S, Senthikumar B (2019) Phytoconstituents screening by GC-MS and evaluation of In-vitro Gastroprotective and antioxidant activity of Vulva lactuca. Int J Pharm Chem Biol Sci 9(2):939–950
Surana P, Singh S, Manokaran S, Reddy AHM (2018) The interactions between variants of GALT in Galactosemia: In silico approach. Int J Fund App Sci 7(3):14–18
Suzuki K (1993) Anti-obesity effect of cholest-4-en-3-one, an intestinal catabolite of cholesterol, on mice. J Nutri Sci Vit (Tokyo) 39(5):537–543. https://doi.org/10.3177/jnsv.39.537
Suzuki K, Shimizu T, Nakata T (1998) The cholesterol metabolite cholest-4-en-3one and its-oxo derivatives suppress body weight gain, body fat accumulation and serum lipid concentration in mice. Bioorg Med Chem Lett 8(16):2133–2138. https://doi.org/10.1016/S0960-894X(98)00362-X
Sympli HD, Paul S, Borah VV, Choudhury M (2019) Phytochemical and anti-bacterial activity of an endangered orchid, Pleione maculata (Orchidaceae) of Meghalaya. Int J Res Anal Rev 6(2):221–232. https://doi.org/10.1729/Journal.21437
Teoh ES (2016) Orchids of Asia. Times Editions/Marshall Cavendish Singapoore 367
Thomas E, Aneesh TP, Thomas DG, Anandan R (2013) GC-MS analysis of phytochemical compounds present in the rhizomes of Nervilia aragoana Gaud. As J Pharm Clin Res 6(3):68–74
Tian S, Hu W, Niu Li, Lui H, Xu H, Xiao S (2020) Pulmonary pathology of early-phase 2019 Novel Coronavirus (COVID-19) Pneumonia in two patients with lung cancer. J Thorac Oncol 1–5
Tsering J, Tam N, Tag H, Gogoi JB, Apang O (2017) Medicinal orchids of Arunachal Pradesh: a review. Bull Arunachal For Res 32(1 & 2):1–16
Tufino C, Bernal C, Ottone C, Romero O, Illanes A, Wilson L (2019) Synthesis with immobilized lipases and downstream processing of Ascorbyl palmitate. Molecules 24(3227):1–13. https://doi.org/10.3390/molecules24183227
Tyagi T, Agarwal M (2016) Phytochemical screening and GC-MS analysis of bioactive constituents in the ethanolic extract of Pista stratiotes L. and Eichhornia crassipes (Mart.) solms. J Pharm Phytochem 6(1):195–206
Ukil S, Laskar S, Roy NR (2015) Physicochemical characterization and antibacterial activity of the leaf oil of Crotalaria pallida Aiton. J Taib Univ Sci. https://doi.org/10.1016/j.jtusci.2015.07.001
Umaiyambigai D, Saravanakumar K, Raj AG (2017) Phytochemical profile and antifungal activity of leaves methanol extract from the Psydrax dicoccos (Gaertn) Teys. & Binn. Rubiaceace family. Int J Pharma Phytochem Ethnomed 7: 53–6. https://doi.org/10.18052/www.scipress.com/IJPPE.7.53.
Upgade A, Bhaskar A (2013) Characterization and medicinal importance of phytoconstituents of C. papaya from down South Indian region using Gas Chromatography and Mass Spectroscopy. As J Pharm Clin Res 6(4):101–106
Valiei M, Shafaghat A, Salimi F (2011) Chemical composition and antimicrobial activity of the flower and root hexane extracts of Althaea officinalis in Northwest Iran. J Med Plnts Res 5(32):6972–6976. https://doi.org/10.5897/FJMPR11.963
Vardanyan RS, Hruby VJ (2006) Digitoxin.Synthesis of essential drug. Synth Essent Drugs Cardiotonic Drugs. https://doi.org/https://doi.org/10.1016/B978-044452166-8/50017-0
Vijayakumari J, Raj TLS (2019) GC-MS analysis of secondary metabolites from acetone and chloroform extract of Dicranopteris linearis (burm.F.)Underw. Int Res J Biol Sci 8(9): 39–43.
Vijisaral ED, Arumugam S (2014) GC-MS analysis of bioactive constituents of Indigofera suffruticosa leaves. J Chem Pharm Res 6(8):294–300
Wang L, Wang Y, Ye D, Liu Q (2020) Review of the 2019 novel corona-virus (SARS-CoV-2) based on current evidence. Int J Antimicrob Agent 105948:1–7. https://doi.org/10.1016/j.ijantimicag.2020
Wei SL, Wee W, Siong FYJ, Syamsumir FD (2011) Characterization of antimicrobial, antioxidant, anticancer property and chemical composition of Michelia champaca seed and flower extract. Stam J Pharm Sci 4(1):19–24. https://doi.org/10.3329/sjps.v4i1.886
Wen C, Shyur L, Jan J, Liang P, Kuo C, Arulselvan P, Wu J, Yang N (2011) Traditional chineses medicine herbal extracts of Cibotium barometz, Gentiana scabra, Dioscorea batatas, Cassia tora, and Taxillus chinensis inhibit SARS-COV replication. J Trad Compl Med 1(1):41–50. https://doi.org/10.1016/s2225-4110(16)30055-4
World Health Organization (WHO) (2018) Critical review report: Pregabalin. Expert committee on Drug Dependence forty-first meeting, Geneva
Wu D, Wu T, Liu Q, Yang Z (2020) The SARS-CoV-2 outbreak: what we know. Int J Inf Dis. https://doi.org/10.1016/j.ijid.2020.03.004
Wu Q, Zhou L, Sun X, Yan Z, Hu C, Wu J, Xu L, Li X, Liu H, Yin P, Zhao J, Li Y, Wang X, Li Y, Zhang Q, Xu GCH (2017) Altered lipid metabolism in recovered SARS patients twelve years after infection. Sci Rept 7:1–12. https://doi.org/10.1038/s41598-017-09536-z
Yadav S, Pandey SK, Singh VK, Goel Y, Kumar A, Singh SM (2017) Molecular docking studies of 3-bromopyruvate and its derivaties to metabolic regaltory enzymes: Implication in deisgning of novel anti-cancer therapeutic strategies. PLoS ONE 2017:1–15. https://doi.org/10.1371/journal.pone.0176403.g005
Yang Y, Islam MS, Wang J, Li Y, Chen X (2020) Traditional Chinese medicine in the treatment of patients infected with 2019-New Coronavirus (SARS-CoV-2): a review and perspective. Int J Biol Sci 16(10):1708–1717
Yusufzai SK, Khan MS, Hanry EL, Rafatullah M, Elison BB (2019) GC-MS analysis of chemical constituents and in-vitro antioxidant activity of the organic extracts from the stem of Bridelia stipularis. Sans Malaysiana 48(5):999–1009. https://doi.org/10.17576/JSM-2019-4805-08
Yuvaraj N, Arul V (2014) In vitro anti-tumor, anti-inflammatory, anti-oxidant, and antibacterial activities of marine brown alga Sargassum wightii collected from Gulf of Mannar. Glob J Pharm 8(4):566–577. https://doi.org/10.5829/idosi.gjp.2014.8.4.84281
Zafar MZ (2016) A case study: pnuemonia. Occu Med Health Aff 4(4):1–3
Zaini RG, Brandt K, Clench MR, Le Maire CL (2012) Effects of bioactive compounds from carrots (Daucus carota L.), Polyacetylenes, Beta-carotene and Lutein on human lymphoid leukaemia cells. Anti-canc Agnts Med Chem 12:1–13. https://doi.org/10.2174/187152012800617704
Zhang C, Vasmatzis G, Cornette JL, DeLisi C (1997) Determination of atomic desolvation energies from the structures of crystallized proteins. J Mol Bio 267(3):707–726. https://doi.org/10.1006/jmbi.1996.0859
Zhang J, Sun H, Chen H, Chen S, Li Zeng, Wang T (2017) Anti-fungal activity, mechanism studies on α- Phellandrene and nonanal against Penicillium cyclopium. Bot Stud 58(13): 1–9. https://doi.org/10.1186/2Fs40529-017-0168-8
Zhang H, Penninger JM, Li Y, Zhong N, Slutsky AS (2020a) Angiotensin-converting enzyme 2 (ACE2) as a SARS-CoV-2 receptor: molecular mechanisms and potential therapeutic target. Inten Care Med 46:586–590
Zhang Z, Wu WY, Hou JJ, Zhang LL, Li FF, Gao L, Wu XD, Shi JY, Zhang R, Long HI, Lei M, Wu WY, Guo DA, Chen KX, Hofman LA, Ci ZH (2020b) Active constituents and mechanisms of respiratory detox shot, a traditional chinese medidine prescription, for COVID-19 control and prevention: network-molecular docking LC-MS analysis. J Int Med. https://doi.org/10.1016/j.joim.2020.03.00