Our web-resources PASS Online, GUSAR Online, DIGEP-Pred, CLC-Pred, SOMP and others will help you to select the most promising compounds for synthesis and biological testing, filter out drug-candidates with potential adverse effects & toxicity, and finally, reduce the time & financial expenses needed for drug discovery.
Ekins S., Williams5 A.J., Krasowski M.D., Freundlich J.S. In silico repositioning of approved drugs for rare and neglected diseases. Drug Discovery Today, 2011, 16: 298-310.
Zakharov A.V., Peach M.L., Sitzmann M., Nicklaus M.C. A new approach to radial basis function approximation and its application to QSAR, Journal of Chemical Information and Modeling, 2014, 54: 713-719.
2003
2008
Pogodin P.V., Lagunin A.A., Filimonov D.A., Poroikov V.V. (2015) PASS Targets: ligand-based multi-target computational system based on public data and naïve bayes approach. SAR and QSAR in Environmental Research, 26 (10), 783-793. DOI: 10.1080/1062936X.2015.1078407.
Kryzhanovskii S.A., Salimov R.M., Lagunin A.A., Filimonov D.A., Gloriozova T.A., Poroikov V.V. Nootropic action of some antihypertensive drugs: computer predicting and experimental testing. Pharmaceutical Chemistry Journal, 2012, 45: 605-611.
Konova V., Lagunin A., Pogodin P., Kolotova E., Shtil A., Poroikov V. (2015). Virtual screening of chemical compounds active against breast cancer cell lines based on cell cycle modeling, prediction of cytotoxicity and interaction with targets. SAR and QSAR in Environmental Research, 26 (7-9), 595-604. DOI: 10.1080/1062936X.2015.1076516.
Ivanov S.M., Lagunin A.A., Pogodin P.V., Filimonov D.A., Poroikov V.V. (2015). Identification of drug targets related to the induction of ventricular tachyarrhythmia through systems chemical biology approach. Toxicological Sciences, 145 (2): 321-336. DOI: 10.1093/toxsci/kfv054.
Cronin M. Report on the "Review of the Status of the Development of Alternatives to using Animals in Chemical Safety Testing and Identification of New Areas for Development or Research in the Context of the Proposed REACH Regulation". Liverpool John Moores University and The Fund for the Replacement of Animals in Medical Experiments, May 2005.
2016
▲樂天女孩卉妮柔嫩度驚人。(圖/卉妮供應)
Ekins S., Mestres J., Testa B. In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling. British Journal of Pharmacology, 2007, 152: 9–20.
Sadym A., Lagunin A., Filimonov D., Poroikov V. Prediction of biological activity spectra via Internet. SAR and QSAR in Environmental Research, 2003, 14: 339-347.
Dix D.J., Houck K.A., Martin M.T., Richard A.M., Setzer R.W., Kavlock R.J. The ToxCast program for prioritizing toxicity testing of environmental chemicals. Toxicological Sciences, 2007, 95: 5–12.
Borodina Yu., Rudik A., Filimonov D., Kharchevnikova N., Dmitriev A., Blinova V., Poroikov V. A new statistical approach to predicting aromatic hydroxylation sites. Comparison with model-based approaches. J. Chem. Inform. Comput. Sci., 2004, 44: 1998-2009.
Bezhentsev V.M., Tarasova O.A., Dmitriev A.V., Rudik A.V., Lagunin A.A., Filimonov D.A., Poroikov V.V. Computer-aided prediction of xenobiotics metabolism in the human organism. Russ. Chem. Rev., 2016, 85 (8) 854-879. DOI: 10.1070/RCR4614.
Lagunin A., Zakharov A., Filimonov D., Poroikov V. QSAR Modelling of Rat Acute Toxicity on the Basis of PASS Prediction. Molecular Informatics, 2011, 30: 241–250.
Geronikaki A., Druzhilovsky D., Zakharov A., Poroikov V. Computer-aided predictions for medicinal chemistry via Internet. SAR and QSAR in Environ. Res., 2008, 19: 27-38.
Borodina Yu., Sadym A., Filimonov D., Blinova V., Dmitriev A., Poroikov V. Predicting biotransformation potential from molecular structure. J. Chem. Inform. Comput. Sci., 2003, 43: 1636-1646.
Filimonov D., Poroikov V., Borodina Yu., Gloriozova T. Chemical similarity assessment through multilevel neighborhoods of atoms: definition and comparison with the other descriptors. Journal of Chemical Information and Computational Sciences, 1999, 39: 666-670.
Kokurkina G.V., Dutov M.D., Shevelev S.A., Popkov S.V., Zakharov A.V., Poroikov V.V. Synthesis, antifungal activity and QSAR study of 2-arylhydroxynitroindoles. Eur. J. Med. Chem., 2011, 46: 4374-4382.
Lagunin A., Ivanov S., Rudik A., Filimonov D., Poroikov V. DIGEP-Pred: web-service for in-silico prediction of drug-induced expression profiles based on structural formula. Bioinformatics, 2013, 29: 2062-2063.