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• W4246314976 abstract "At present work discusses the current level of computer modeling the relationship structure of organic compounds and drugs and their ability to penetrate the BBB. All descriptors that influence to this permeability within classification and regression QSAR models are generalized and analyzed. The crucial role of H-bond in processes both passive, and active transport across BBB is observed. It is concluded that further research should be focused on interpretation the spatial structure of a full-size P-glycoprotein molecule with high resolution and the creation of QSAR models describing the quantitative relationship between structure and active transport of substances across BBB. Obsuzhdaetsia sovremennyĭ uroven' komp'iuternogo modelirovaniia vzaimosviazi struktury organicheskikh soedineniĭ i lekarstv i ikh sposobnosti pronikat' cherez GÉB. Obobshcheny i proanalizirovany vse deskriptory, okazyvaiushchie vliianie na étu pronitsaemost' v ramkakh klassifikatsionnykh i regressionnykh modeleĭ vzaimosviazeĭ struktura-svoĭstvo. Otmechena kliuchevaia rol' vodorodnoĭ sviazi v protsessakh kak passivnogo, tak i aktivnogo transporta veshchestv cherez GÉB. Sushchestvennyĭ progress v komp'iuternom modelirovanii pronitsaemosti lekarstvennykh sredstv cherez gematoéntsefalicheskiĭ bar'er budet dostignut pri rasshifrovke prostranstvennoĭ struktury polnorazmernoĭ molekuly R-glikoproteina s vysokim razresheniem i sozdanii KSSA modeleĭ, opisyvaiushchikh kolichestvennuiu vzaimosviaz' mezhdu strukturoĭ i aktivnym transportom veshchestva cherez GÉB." @default.
• W4246314976 created "2022-05-12" @default.
• W4246314976 creator A5012533859 @default.
• W4246314976 creator A5029121475 @default.
• W4246314976 creator A5062966224 @default.
• W4246314976 creator A5065866115 @default.
• W4246314976 date "2014-01-01" @default.
• W4246314976 modified "2023-10-03" @default.
• W4246314976 title "Computer modeling of blood brain barrier permeability of physiologically active compounds" @default.
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