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Биологические науки

Discriminating between drugs and nondrugs by Prediction of Activity Spectra for Substances (PASS)
Anzali S., Barnickel G., Cezanne B., Krug M., Filimonov D., Poroikov V., Journal of Medicinal Chemistry, 2001, 44 (15), 2432-2437..
druglikeness   computer-aided prediction   PASS  
How to acquire new biological activities in old compounds by computer prediction
Poroikov V.V., Filimonov D.A., Journal of Computer-Aided Molecular Design, 2002, 16 (11), 819-824..
lead finding   computer prediction   PASS   Biological activity spectra   drug efficacy and safety   new drug  
PASS biological activity spectrum predictions in the enhanced open NCI database browser
Poroikov V.V., Filimonov D.A., Ihlenfeldt W.-D., Gloriozova T.A., Lagunin A.A., Borodina Yu.V., Stepanchikova A.V., Nicklaus M.C., Journal of Chemical Information and Computer Sciences, 2003, 43 (1) 228-236..
Open NCI database   PASS predictions   applications in drug discovery  
Computer-aided selection of potential antihypertensive compounds with dual mechanisms of action
Lagunin A.A., Gomazkov O.A., Filimonov D.A., Gureeva T.A., Dilakyan E.A., Kugaevskaya E.V., Elisseeva Yu.E., Solovyeva N.I., Poroikov V.V., Journal of Medicinal Chemistry, 2003, 46 (15), 3326-3332..
multitargeted drugs   computer prediction   PASS   antihypertensive agents   ACE inhibitors   NEP inhibitors  
Design of new cognition enhancers: from computer prediction to synthesis and biological evaluation
Geronikaki A., Dearden J., Filimonov D., Galaeva I., Garibova T., Gloriozova T., Krajneva V., Lagunin A., Macaev F., Molodavkin G., Poroikov V., Pogrebnoi S., Shepeli F., Voronina T., Tsitlakidou M., Vlad L., Journal of Medicinal Chemistry, 2004, 47 (11), 2870-2876..
cognition enhancers   computer-aided design   PASS   NCEs  
Design of new anxiolytics: from computer prediction to synthesis and biological evaluation
Geronikaki A., Babaev E., Dearden J., Dehaen W., Filimonov D., Galaeva I., Krajneva V., Lagunin A., Macaev F., Molodavkin G., Poroikov V., Saloutin V., Stepanchikova A., Voronina T. (2004), Bioorganic and Medicinal Chemistry, 2004, 12 (24), 6559-6568..
Anxiolytics   synthesis   Thiazoles   Pyrazoles   2-Indolinones  
Система государственной регистрации и биологических испытаний химических соединений: воспоминания о будущем
Поройков В.В., В кн.: Медицинская биофизика. Биологические испытания химических соединений. М.: Медицина, 2005, с.546-549.
химические соединения   государственная регистрация   биологические испытания  
Postgenomic chemistry (IUPAC Technical Report)
Varfolomeev S., Efremenko E., Beletskaya I., Bertini I., Blackburn G., Bogdanov A., Cunin R., Eichler J., Galaev I., Gladyshev V., O’Hagan D., Haertle T., Jarv J., Karyakin A., Kurochkin I., Mikolajczyk M., Poroikov V., Sakharov I., Spener F., Voyer N., Wild J., Pure and Applied Chemistry, 2005, 77 (9), 1641-1654..
Postgenomic chemistry   prospective areas   IUPAC report  
Novel antitumor agents: marine sponge alkaloids, their synthetic analogues and derivatives
Dembitsky V.M., Gloriozova T.A., Poroikov V.V., Mini-Reviews in Medicinal Chemistry, 2005, 5 (3), 319-336..
marine   sponge   alkaloids   antitumor   novel   prediction   activity  
Computer design of vaccines: approaches, software tools and informational resources
Sobolev B.N., Olenina L.V., Kuraeva T.E., Kolesanova E.F., Poroikov V.V., Archakov A.I., Current Computer-Aided Drug Design, 2005, 1 (2), 207-222..
Vaccine design   immune response   genomics   bioinformatics   immunoinformatics   sequence analysis   epitope