{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,29]],"date-time":"2026-09-29T14:33:31Z","timestamp":1790692411815,"version":"4.1.0"},"reference-count":81,"publisher":"Public Library of Science (PLoS)","issue":"10","license":[{"start":{"date-parts":[[2015,10,16]],"date-time":"2015-10-16T00:00:00Z","timestamp":1444953600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["www.plosone.org"],"crossmark-restriction":false},"short-container-title":["PLoS ONE"],"DOI":"10.1371\/journal.pone.0140602","type":"journal-article","created":{"date-parts":[[2015,10,16]],"date-time":"2015-10-16T18:14:39Z","timestamp":1445019279000},"page":"e0140602","update-policy":"https:\/\/doi.org\/10.1371\/journal.pone.corrections_policy","source":"Crossref","is-referenced-by-count":17,"title":["In Silico Discovery of Novel Potent Antioxidants on the Basis of Pulvinic Acid and Coumarine Derivatives and Their Experimental Evaluation"],"prefix":"10.1371","volume":"10","author":[{"given":"Rok","family":"Martin\u010di\u010d","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Janez","family":"Mravljak","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Urban","family":"\u0160vajger","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Andrej","family":"Perdih","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Marko","family":"Anderluh","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Marjana","family":"Novi\u010d","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"340","published-online":{"date-parts":[[2015,10,16]]},"reference":[{"key":"ref1","doi-asserted-by":"crossref","first-page":"125","DOI":"10.1016\/0891-5849(95)91457-3","article-title":"The Definition and Measurement of Antioxidants in Biological-Systems","volume":"18","author":"B Halliwell","year":"1995","journal-title":"Free Radic Biol Med"},{"key":"ref2","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1016\/j.fct.2012.09.021","article-title":"A review on antioxidants, prooxidants and related controversy: natural and synthetic compounds, screening and analysis methodologies and future perspectives","volume":"51","author":"M Carocho","year":"2013","journal-title":"Food Chem Toxicol"},{"key":"ref3","doi-asserted-by":"crossref","first-page":"48","DOI":"10.2174\/157018012798192900","article-title":"Evaluation of the Radioprotective Potential of the Polyphenol Norbadione A","volume":"9","author":"A Le Roux","year":"2012","journal-title":"Lett Drug Des Discov"},{"key":"ref4","doi-asserted-by":"crossref","first-page":"2454","DOI":"10.1021\/jm801500h","article-title":"Evaluation of antioxidant properties of monoaromatic derivatives of pulvinic acids","volume":"52","author":"D Habrant","year":"2009","journal-title":"J Med Chem"},{"key":"ref5","doi-asserted-by":"crossref","first-page":"3050","DOI":"10.1021\/ci200205d","article-title":"Design and synthesis of new antioxidants predicted by the model developed on a set of pulvinic acid derivatives","volume":"51","author":"A Le Roux","year":"2011","journal-title":"J Chem Inf Model"},{"key":"ref6","doi-asserted-by":"crossref","first-page":"23","DOI":"10.1016\/j.aca.2015.01.050","article-title":"Development of models for prediction of the antioxidant activity of derivatives of natural compounds","volume":"868","author":"R Martin\u010di\u010d","year":"2015","journal-title":"Anal Chim Acta"},{"key":"ref7","year":"2007"},{"key":"ref8","first-page":"210","article-title":"The Practice of Medicinal Chemistry","author":"T Langer","year":"2008"},{"key":"ref9","doi-asserted-by":"crossref","first-page":"2356","DOI":"10.1021\/jm030584q","article-title":"Application of predictive QSAR models to database mining: Identification and experimental validation of novel anticonvulsant compounds","volume":"47","author":"M Shen","year":"2004","journal-title":"J Med Chem"},{"key":"ref10","unstructured":"eMolecules. Database: eMolecules. Available: <ext-link xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" ext-link-type=\"uri\" xlink:href=\"http:\/\/www.emolecules.com\/\" xlink:type=\"simple\">http:\/\/www.emolecules.com\/<\/ext-link>. Accessed 12 February 2014."},{"key":"ref11","doi-asserted-by":"crossref","first-page":"445","DOI":"10.1177\/026119290503300508","article-title":"QSAR applicability domain estimation by projection of the training set in descriptor space: A review","volume":"33","author":"J Jaworska","year":"2005","journal-title":"ATLA Altern Lab Anim"},{"key":"ref12","doi-asserted-by":"crossref","first-page":"208","DOI":"10.1016\/j.ejmech.2013.06.017","article-title":"Discovery of the first inhibitors of bacterial enzyme D-aspartate ligase from <italic>Enterococcus faecium<\/italic> (ASl<sub>fm<\/sub>)","volume":"67","author":"V Skedelj","year":"2013","journal-title":"Eur J Med Chem"},{"key":"ref13","doi-asserted-by":"crossref","DOI":"10.1002\/3527609164","article-title":"Pharmacophores and Pharmacophore Searches","author":"T Langer","year":"2006"},{"key":"ref14","doi-asserted-by":"crossref","first-page":"1644","DOI":"10.1016\/j.ejmech.2008.09.023","article-title":"A theoretical antioxidant pharmacophore for resveratrol","volume":"44","author":"AN Queiroz","year":"2009","journal-title":"Eur J Med Chem"},{"key":"ref15","doi-asserted-by":"crossref","first-page":"17","DOI":"10.1515\/chem-2015-0001","article-title":"A theoretical antioxidant pharmacophore for natural hydroxycinnamic acids","volume":"13","author":"M Szelag","year":"2015","journal-title":"Open Chem"},{"key":"ref16","article-title":"Pharmacophore Modelling and Synthesis of Quinoline-3-Carbohydrazide as Antioxidants","author":"M El Bakkali","year":"2011","journal-title":"Int J Med Chem"},{"key":"ref17","doi-asserted-by":"crossref","first-page":"57","DOI":"10.3797\/scipharm.1208-01","article-title":"Predictive Modeling of Antioxidant Coumarin Derivatives Using Multiple Approaches: Descriptor-Based QSAR, 3D-Pharmacophore Mapping, and HQSAR","volume":"81","author":"I Mitra","year":"2013","journal-title":"Sci Pharm"},{"key":"ref18","doi-asserted-by":"crossref","first-page":"764","DOI":"10.1213\/01.ane.0000195421.46107.d0","article-title":"Determinants of volatile general anesthetic potency: A preliminary three-dimensional pharmacophore for halogenated anesthetics","volume":"102","author":"JC Sewell","year":"2006","journal-title":"Anesth Analg"},{"key":"ref19","doi-asserted-by":"crossref","first-page":"2661","DOI":"10.1021\/ci600221h","article-title":"Molecular modeling approaches for the prediction of the nonspecific binding of drugs to hepatic microsomes","volume":"46","author":"MJ Sykes","year":"2006","journal-title":"J Chem Inf Model"},{"key":"ref20","doi-asserted-by":"crossref","first-page":"832","DOI":"10.1002\/cbic.200300787","article-title":"A powerful antiradiation compound revealed by a new high-throughput screening method","volume":"5","author":"S Meunier","year":"2004","journal-title":"ChemBioChem"},{"key":"ref21","doi-asserted-by":"crossref","first-page":"1234","DOI":"10.1002\/cbic.200400421","article-title":"High-throughput evaluation of antioxidant and pro-oxidant activities of polyphenols with thymidine protection assays","volume":"6","author":"S Meunier","year":"2005","journal-title":"ChemBioChem"},{"key":"ref22","doi-asserted-by":"crossref","first-page":"4290","DOI":"10.1021\/jf0502698","article-title":"Standardized methods for the determination of antioxidant capacity and phenolics in foods and dietary supplements","volume":"53","author":"RL Prior","year":"2005","journal-title":"J Agric Food Chem"},{"key":"ref23","doi-asserted-by":"crossref","first-page":"1925","DOI":"10.1002\/1097-0010(200010)80:13<1925::AID-JSFA714>3.0.CO;2-4","article-title":"The problems of using one-dimensional methods to evaluate multifunctional food and biological antioxidants","volume":"80","author":"EN Frankel","year":"2000","journal-title":"J Sci Food Agr"},{"key":"ref24","doi-asserted-by":"crossref","first-page":"7429","DOI":"10.1021\/jf0611668","article-title":"High-throughput relative DPPH radical scavenging capacity assay","volume":"54","author":"ZH Cheng","year":"2006","journal-title":"J Agric Food Chem"},{"key":"ref25","doi-asserted-by":"crossref","first-page":"1149","DOI":"10.1016\/j.bmcl.2006.12.040","article-title":"Synthesis of O-prenylated and O-geranylated derivatives of 5-benzylidene2,4-thiazolidinediones and evaluation of their free radical scavenging activity as well as effect on some phase II antioxidant\/detoxifying enzymes","volume":"17","author":"SU Hossain","year":"2007","journal-title":"Bioorg Med Chem Lett"},{"key":"ref26","doi-asserted-by":"crossref","first-page":"1036","DOI":"10.1016\/j.foodchem.2011.07.127","article-title":"Estimation of antiradical properties of antioxidants using DPPH assay: A critical review and results","volume":"130","author":"K Mishra","year":"2012","journal-title":"Food Chem"},{"key":"ref27","doi-asserted-by":"crossref","first-page":"6905","DOI":"10.3390\/molecules15106905","article-title":"Natural Antioxidants: Fascinating or Mythical Biomolecules?","volume":"15","author":"AR Ndhlala","year":"2010","journal-title":"Molecules"},{"key":"ref28","doi-asserted-by":"crossref","first-page":"661","DOI":"10.5012\/bkcs.2002.23.5.661","article-title":"The first total synthesis of 2,3,6-tribromo-4,5-dihydroxybenzyl methyl ether (TDB) and its antioxidant activity","volume":"23","author":"JK Kim","year":"2002","journal-title":"Bull Korean Chem Soc"},{"key":"ref29","doi-asserted-by":"crossref","first-page":"9450","DOI":"10.3390\/molecules15129450","article-title":"Seasonal Variation in Total Phenolic and Flavonoid Contents and DPPH Scavenging Activity of <italic>Bellis perennis<\/italic> L. Flowers","volume":"15","author":"T Siatka","year":"2010","journal-title":"Molecules"},{"key":"ref30","doi-asserted-by":"crossref","first-page":"625","DOI":"10.1515\/znc-2006-9-1002","article-title":"Biological evaluation of curcumin and related diarylheptanoids","volume":"61","author":"F Abas","year":"2006","journal-title":"Naturforsch C"},{"key":"ref31","doi-asserted-by":"crossref","first-page":"12910","DOI":"10.3390\/molecules171112910","article-title":"Quantitative Studies on Structure-DPPH Scavenging Activity Relationships of Food Phenolic Acids","volume":"17","author":"P Jing","year":"2012","journal-title":"Molecules"},{"key":"ref32","doi-asserted-by":"crossref","first-page":"395","DOI":"10.4236\/pp.2014.54047","article-title":"Antioxidant Activity Determination of Citronellal and Crude Extracts of <italic>Cymbopogon citratus<\/italic> by 3 Different Methods","volume":"5","author":"Y Lu","year":"2014","journal-title":"Pharmacol Pharm"},{"key":"ref33","doi-asserted-by":"crossref","first-page":"1716","DOI":"10.1002\/cbdv.200800248","article-title":"Antioxidant Activities of Aqueous Extract from <italic>Agrimonia pilosa<\/italic> and Its Fractions","volume":"6","author":"LC Zhu","year":"2009","journal-title":"Chem Biodivers"},{"key":"ref34","first-page":"659","article-title":"<italic>In vitro<\/italic> antioxidant properties of Scopoletin","volume":"3","author":"A Malik","year":"2011","journal-title":"J Chem Pharm Res"},{"key":"ref35","article-title":"Anti-Inflammatory, Anticholinesterase, and Antioxidant Potential of Scopoletin Isolated from <italic>Canarium patentinervium<\/italic> Miq. (Burseraceae Kunth)","author":"R Mogana","year":"2013","journal-title":"Evid Based Complement Alternat Med"},{"key":"ref36","first-page":"35","article-title":"Total phenolic content and antioxidant activity of ethanolic extracts of <italic>Aesculus hippocastanum<\/italic> L","volume":"38","author":"S Otajagi\u0107","year":"2012","journal-title":"Glas hem tehnol Bosne Hereg"},{"key":"ref37","doi-asserted-by":"crossref","first-page":"1464","DOI":"10.1016\/j.foodchem.2007.02.023","article-title":"Antioxidant properties of Cortex Fraxini and its simple coumarins","volume":"104","author":"CR Wu","year":"2007","journal-title":"Food Chem"},{"key":"ref38","doi-asserted-by":"crossref","first-page":"230","DOI":"10.1590\/S0102-695X2009000200009","article-title":"Antioxidant capacity and biological activity of essential oil and methanol extract of <italic>Hyptis crenata<\/italic> Pohl ex Benth","volume":"19","author":"MM Rebelo","year":"2009","journal-title":"Rev Bras Farmacogn"},{"key":"ref39","doi-asserted-by":"crossref","first-page":"1481","DOI":"10.1016\/j.foodchem.2005.11.039","article-title":"Comparative evaluation of the antioxidant capacity of smoke flavouring phenols by crocin bleaching inhibition, DPPH radical scavenging and oxidation potential","volume":"100","author":"R Bortolomeazzi","year":"2007","journal-title":"Food Chem"},{"key":"ref40","doi-asserted-by":"crossref","first-page":"3970","DOI":"10.3390\/ijms15033970","article-title":"Antioxidant Properties and PC12 Cell Protective Effects of a Novel Curcumin Analogue (2E,6E)-2,6-Bis(3,5-dimethoxybenzylidene)cyclohexanone (MCH)","volume":"15","author":"GZ Ao","year":"2014","journal-title":"Int J Mol Sci"},{"key":"ref41","first-page":"416","article-title":"Stable free radical scavenging and antiperoxidative properties of resveratrol compared <italic>in vitro<\/italic> with some other bioflavonoids","volume":"40","author":"KL Khanduja","year":"2003","journal-title":"Indian J Biochem Biophys"},{"key":"ref42","doi-asserted-by":"crossref","first-page":"7486","DOI":"10.3390\/molecules18077486","article-title":"A New Resveratrol Trimer from the Roots and Stems of <italic>Vitis wenchowensis<\/italic>","volume":"18","author":"BB Gu","year":"2013","journal-title":"Molecules"},{"key":"ref43","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/S0169-409X(96)00423-1","article-title":"Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings","volume":"23","author":"CA Lipinski","year":"1997","journal-title":"Adv Drug Deliv Rev"},{"key":"ref44","doi-asserted-by":"crossref","first-page":"2615","DOI":"10.1021\/jm020017n","article-title":"Molecular properties that influence the oral bioavailability of drug candidates","volume":"45","author":"DF Veber","year":"2002","journal-title":"J Med Chem"},{"key":"ref45","article-title":"Drug-like Properties: Concepts, Structure Design and Methods: from ADME to Toxicity Optimization","author":"E Kerns","year":"2008"},{"key":"ref46","doi-asserted-by":"crossref","first-page":"1636","DOI":"10.1016\/j.bbagen.2009.09.003","article-title":"Reevaluation of the 2-deoxyribose assay for determination of free radical formation","volume":"1790","author":"TC Genaro-Mattos","year":"2009","journal-title":"Biochim Biophys Acta"},{"key":"ref47","doi-asserted-by":"crossref","first-page":"215","DOI":"10.1016\/0003-2697(87)90222-3","article-title":"The Deoxyribose Method\u2014a Simple Test-Tube Assay for Determination of Rate Constants for Reactions of Hydroxyl Radicals","volume":"165","author":"B Halliwell","year":"1987","journal-title":"Anal Biochem"},{"key":"ref48","doi-asserted-by":"crossref","first-page":"323","DOI":"10.1002\/1099-1573(200008)14:5<323::AID-PTR621>3.0.CO;2-Q","article-title":"Antioxidant activity of <italic>Nigella sativa<\/italic> essential oil","volume":"14","author":"M Burits","year":"2000","journal-title":"Phytother Res"},{"key":"ref49","doi-asserted-by":"crossref","first-page":"1887","DOI":"10.1021\/jf970975b","article-title":"High molecular weight plant polyphenolics (tannins) as biological antioxidants","volume":"46","author":"AE Hagerman","year":"1998","journal-title":"J Agric Food Chem"},{"key":"ref50","doi-asserted-by":"crossref","first-page":"129","DOI":"10.1016\/S0003-2670(02)01435-6","article-title":"Kinetic deoxyribose degradation assay and its application in assessing the antioxidant activities of phenolic compounds in a Fenton-type reaction system","volume":"478","author":"ZY Cheng","year":"2003","journal-title":"Anal Chim Acta"},{"key":"ref51","doi-asserted-by":"crossref","first-page":"232","DOI":"10.31989\/ffhd.v1i7.127","article-title":"Antioxidant activity and mechanism of protocatechuic acid <italic>in vitro<\/italic>","volume":"1","author":"XC Li","year":"2011","journal-title":"Funct Food Health Dis"},{"key":"ref52","first-page":"186","article-title":"Reassessment of Antioxidant Activity of Baicalein <italic>in vitro<\/italic>","volume":"1","author":"X Wang","year":"2011","journal-title":"Asian J Pharm Biol Res"},{"key":"ref53","first-page":"1249","article-title":"A comparison of the hydroxyl radical scavenging properties of the shark bile steroid 5 beta-scymnol and plant pycnogenols","volume":"42","author":"TA Macrides","year":"1997","journal-title":"Biochem Mol Biol Int"},{"key":"ref54","doi-asserted-by":"crossref","first-page":"42","DOI":"10.2478\/v10153-011-0096-4","article-title":"Antioxidant and antiradical properties of esculin, and its effect in a model of epirubicin-induced bone marrow toxicity","volume":"54","author":"S Biljali","year":"2012","journal-title":"Folia Med (Plovdiv)"},{"key":"ref55","doi-asserted-by":"crossref","first-page":"5141","DOI":"10.1016\/j.bmc.2004.07.028","article-title":"Antioxidant activities of flavidin in different <italic>in vitro<\/italic> model systems","volume":"12","author":"GK Jayaprakasha","year":"2004","journal-title":"Bioorg Med Chem"},{"key":"ref56","doi-asserted-by":"crossref","first-page":"8983","DOI":"10.1021\/jf302218g","article-title":"Beta-Carotene Assay Revisited. Application To Characterize and Quantify Antioxidant and Prooxidant Activities in a Microplate","volume":"60","author":"MA Prieto","year":"2012","journal-title":"J Agric Food Chem"},{"key":"ref57","doi-asserted-by":"crossref","first-page":"8397","DOI":"10.1021\/jf061729f","article-title":"New method to determine antioxidant activity of polyphenols","volume":"54","author":"LL Chaillou","year":"2006","journal-title":"J Agric Food Chem"},{"key":"ref58","doi-asserted-by":"crossref","first-page":"835","DOI":"10.1007\/s00217-010-1333-4","article-title":"Influence of some experimental variables and matrix components in the determination of antioxidant properties by beta-carotene bleaching assay: experiments with BHT used as standard antioxidant","volume":"231","author":"A Dawidowicz","year":"2010","journal-title":"Eur Food Res Technol"},{"key":"ref59","doi-asserted-by":"crossref","first-page":"12","DOI":"10.7324\/JAPS.2014.40203","article-title":"Antioxidant activity and phytochemical screening of <italic>Nepeta nepetella<\/italic> aqueous and methanolic extracts from Algeria","volume":"4","author":"M Seladji","year":"2014","journal-title":"Journal of Applied Pharmaceutical Science"},{"key":"ref60","article-title":"The Medicinal Timber <italic>Canarium patentinervium<\/italic> Miq. (Burseraceae Kunth.) Is an Anti-Inflammatory Bioresource of Dual Inhibitors of Cyclooxygenase (COX) and 5-Lipoxygenase (5-LOX)","author":"R Mogana","year":"2013","journal-title":"ISRN Biotechnol"},{"key":"ref61","doi-asserted-by":"crossref","first-page":"305","DOI":"10.1016\/j.phytochem.2013.08.014","article-title":"Phenolic compounds from <italic>Trifolium echinatum<\/italic> Bieb. and investigation of their tyrosinase inhibitory and antioxidant activities","volume":"96","author":"T Sabudak","year":"2013","journal-title":"Phytochemistry"},{"key":"ref62","unstructured":"Radice M. Biological activity and cosmeceutical application of derivatives of species from the south eastern Ecuadorian Amazon. PhD dissertation, University of Ferrara. 2011. Available: <ext-link xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" ext-link-type=\"uri\" xlink:href=\"http:\/\/eprints.unife.it\/421\/\" xlink:type=\"simple\">http:\/\/eprints.unife.it\/421\/<\/ext-link>."},{"key":"ref63","doi-asserted-by":"crossref","first-page":"8896","DOI":"10.1021\/jf0715166","article-title":"Cellular antioxidant activity (CAA) assay for assessing antioxidants, foods, and dietary supplements","volume":"55","author":"KL Wolfe","year":"2007","journal-title":"J Agric Food Chem"},{"key":"ref64","doi-asserted-by":"crossref","first-page":"6621","DOI":"10.1021\/jf9035832","article-title":"Cellular Antioxidant Activity of Common Vegetables","volume":"58","author":"W Song","year":"2010","journal-title":"J Agric Food Chem"},{"key":"ref65","doi-asserted-by":"crossref","first-page":"863","DOI":"10.1016\/j.leukres.2004.12.011","article-title":"Signal transduction of phorbol 12-myristate 13-acetate (PMA)-induced growth inhibition of human monocytic leukemia THP-1 cells is reactive oxygen dependent","volume":"29","author":"K Traore","year":"2005","journal-title":"Leukemia Res"},{"key":"ref66","doi-asserted-by":"crossref","first-page":"1939","DOI":"10.2337\/diabetes.49.11.1939","article-title":"High glucose level and free fatty acid stimulate reactive oxygen species production through protein kinase C-dependent activation of NAD(P)H oxidase in cultured vascular cells","volume":"49","author":"T Inoguchi","year":"2000","journal-title":"Diabetes"},{"key":"ref67","doi-asserted-by":"crossref","first-page":"1717","DOI":"10.1093\/carcin\/15.8.1717","article-title":"Inhibitory Effect of Curcumin on Xanthine Dehydrogenase\/Oxidase Induced by Phorbol-12-Myristate-13-Acetate in Nih3t3 Cells","volume":"15","author":"JK Lin","year":"1994","journal-title":"Carcinogenesis"},{"key":"ref68","doi-asserted-by":"crossref","first-page":"82","DOI":"10.1016\/S0891-5849(00)00449-4","article-title":"The intracellular oxidation of 2&apos;,7&apos;-dichlorofluorescin in murine T lymphocytes","volume":"30","author":"DM van Reyk","year":"2001","journal-title":"Free Radic Biol Med"},{"key":"ref69","doi-asserted-by":"crossref","first-page":"476","DOI":"10.1002\/minf.201000061","article-title":"Best Practices for QSAR Model Development, Validation, and Exploitation","volume":"29","author":"A Tropsha","year":"2010","journal-title":"Mol Inform"},{"key":"ref70","doi-asserted-by":"crossref","first-page":"396","DOI":"10.1021\/ci200520g","article-title":"Comparative Studies on Some Metrics for External Validation of QSPR Models","volume":"52","author":"K Roy","year":"2012","journal-title":"J Chem Inf Model"},{"key":"ref71","doi-asserted-by":"crossref","first-page":"160","DOI":"10.1021\/ci049885e","article-title":"LigandScout: 3-d pharmacophores derived from protein-bound Ligands and their use as virtual screening filters","volume":"45","author":"G Wolber","year":"2005","journal-title":"J Chem Inf Model"},{"key":"ref72","doi-asserted-by":"crossref","first-page":"572","DOI":"10.1021\/ci100031x","article-title":"Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database","volume":"50","author":"PCD Hawkins","year":"2010","journal-title":"J Chem Inf Model"},{"key":"ref73","doi-asserted-by":"crossref","first-page":"2534","DOI":"10.1021\/jm049092j","article-title":"Virtual screening workflow development guided by the &quot;receiver operating characteristic&quot; curve approach. Application to high-throughput docking on metabotropic glutamate receptor subtype 4","volume":"48","author":"N Triballeau","year":"2005","journal-title":"J Med Chem"},{"key":"ref74","doi-asserted-by":"crossref","first-page":"213","DOI":"10.1007\/s10822-007-9163-6","article-title":"Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection\u2014What can we learn from earlier mistakes?","volume":"22","author":"J Kirchmair","year":"2008","journal-title":"J Comput Aid Mol Des"},{"key":"ref75","doi-asserted-by":"crossref","first-page":"2333","DOI":"10.1021\/ci900263d","article-title":"Novel approach for efficient pharmacophore-based virtual screening: method and applications","volume":"49","author":"O Dror","year":"2009","journal-title":"J Chem Inf Model"},{"key":"ref76","doi-asserted-by":"crossref","first-page":"81","DOI":"10.1016\/S0308-8146(99)00167-3","article-title":"Antioxidant and radical scavenging activities of polyphenols from apple pomace","volume":"68","author":"YR Lu","year":"2000","journal-title":"Food Chem"},{"key":"ref77","doi-asserted-by":"crossref","first-page":"414","DOI":"10.1016\/j.foodchem.2012.11.001","article-title":"EC<sub>50<\/sub> estimation of antioxidant activity in DPPH assay using several statistical programs","volume":"138","author":"Z Chen","year":"2013","journal-title":"Food Chem"},{"key":"ref78","doi-asserted-by":"crossref","first-page":"25","DOI":"10.1016\/S0023-6438(95)80008-5","article-title":"Use of a Free-Radical Method to Evaluate Antioxidant Activity","volume":"28","author":"W Brandwilliams","year":"1995","journal-title":"Lebensm Wiss Technol"},{"key":"ref79","doi-asserted-by":"crossref","first-page":"693","DOI":"10.1016\/j.foodchem.2008.09.098","article-title":"Free radical-scavenging behaviour of some north-east Brazilian fruits in a DPPH system","volume":"114","author":"MSM Rufino","year":"2009","journal-title":"Food Chem"},{"key":"ref80","doi-asserted-by":"crossref","first-page":"57","DOI":"10.1016\/S0076-6879(94)33008-5","article-title":"Deoxyribose Assay for Detecting Hydroxyl Radicals","volume":"233","author":"OI Aruoma","year":"1994","journal-title":"Method Enzymol"},{"key":"ref81","doi-asserted-by":"crossref","first-page":"2774","DOI":"10.1021\/jf001413m","article-title":"Antioxidant and antiradical activities of flavonoids","volume":"49","author":"S Burda","year":"2001","journal-title":"J Agric Food Chem"}],"container-title":["PLOS ONE"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/dx.plos.org\/10.1371\/journal.pone.0140602","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2022,5,23]],"date-time":"2022-05-23T12:18:12Z","timestamp":1653308292000},"score":1,"resource":{"primary":{"URL":"https:\/\/dx.plos.org\/10.1371\/journal.pone.0140602"}},"subtitle":[],"editor":[{"given":"Alessio","family":"Lodola","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"editor"}]}],"short-title":[],"issued":{"date-parts":[[2015,10,16]]},"references-count":81,"journal-issue":{"issue":"10","published-online":{"date-parts":[[2015,10,16]]}},"URL":"https:\/\/doi.org\/10.1371\/journal.pone.0140602","relation":{},"ISSN":["1932-6203"],"issn-type":[{"value":"1932-6203","type":"electronic"}],"subject":[],"published":{"date-parts":[[2015,10,16]]}}}