Filimonov D.A., Zakharov A.V., Lagunin A.A., Poroikov V.V. QNA based “Star Track” QSAR approach. SAR and QSAR in Environmental Research, 2009, 20: 679-709.
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.
Rudik A.V., Dmitriev A.V., Lagunin A.A., Filimonov D.A., Poroikov V.V. Metabolism sites prediction based on xenobiotics structural formulae and PASS prediction algorithm. Journal of Chemical Information and Modeling, 2014, 54: 498–507.
Karasev D.A., Veselovsky A.V., Oparina N.Yu., Filimonov D.A., Sobolev B.N. (2016). Prediction of amino acid positions specific for functional groups in a protein family based on local sequence similarity. Journal of Molecular Recognition, 29 (4), 159-169. DOI: 10.1002/jmr.2515.
Ivanov S.M., Lagunin A.A., Poroikov V.V. (2016). In silico assessment of adverse drug reactions and associated mechanisms. Drug Discovery Today, 21 (1), 58-71. DOI: 10.1016/j.drudis.2015.07.018.
Poroikov V. (2015). 20th EuroQSAR: Understanding Chemical-Biological Interactions. Molecular Informatics, 34 (6-7), 340. DOI: 10.1002/minf.201580631.
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.
Fedorova E.V., Buryakina A.V., Zakharov A.V., Filimonov D.A., Lagunin A.A., Poroikov V.V. Design, synthesis and pharmacological evaluation of novel vanadium-containing complexes as antidiabetic agents. PLoS ONE, 2014, 9 (7): e100386.
Zakharov A.V., Lagunin A.A., Filimonov D.A., Poroikov V.V. Quantitative prediction of antitarget interaction profiles for chemical compounds. Chemical Research in Toxicology, 2012: 25: 2378-2385.
Lagunin A., Stepanchikova A., Filimonov D., Poroikov V. PASS: prediction of activity spectra for biologically active substances. Bioinformatics, 2000, 16: 747-748.
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.
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.減肥
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.
Tarasova O.A., Urusova A.F., Filimonov D.A., Nicklaus M.C., Zakharov A.V., Poroikov V.V. (2015). QSAR Modeling Using Large-Scale Databases: Case Study for HIV-1 Reverse Transcriptase Inhibitors. Journal of Chemical Information and Modeling, 55 (7), 1388-1399, DOI: 10.1021/acs.jcim.5b00019.
Anusevicius K., Mickevicius V., Stasevych M., Zvarych V., Komarovska-Porokhnyavets O., Novikov V., Tarasova O., Gloriozova T., Poroikov V. (2015). Design, synthesis, in vitro antimicrobial activity evaluation and computational studies of new N-(4-iodophenyl)-β-alanine derivatives. Research on Chemical Intermediates. 41 (10), 7517-7540. DOI: 10.1007/s11164-014-1841-0.
Goel R.K., Poroikov V., Gawande D., Lagunin A., Randhawa P., Mishra A. (2015). Revealing medicinal plants useful for comprehensive management of epilepsy and associated co-morbidities through in silico mining of their phytochemical diversity. Planta Medica, 81 (6), 495-506. DOI: 10.1055/s-0035-1545884.