Interaction of heteroboranes with biomolecules: Accurate quantum chemical study

Abstract

Charles University in Prague Faculty of Science Department of Physical and Macromolecular Chemistry Interaction of heteroboranes with biomolecules: Accurate quantum chemical study Doctoral Thesis Abstract RNDr. Jindřich Fanfrlík Advisor: Prof. Ing. Pavel Hobza, DrSc. Institute of Organic Chemistry and Biochemistry, AS CR Center for Biomolecules and Complex Molecular Systems Prague 2008 Univerzita Karlova v Praze Přírodovĕdecká Fakulta Katedra fyzikální a makromolekulární chemie Interakce heteroboranů s biomolekulami: kvantovĕ chemická studie Autoreferát disertační práce RNDr. Jindřich Fanfrlík Školitel: Prof. Ing. Pavel Hobza, DrSc. Ústav organické chemie and biochemie, AV ČR Centrum biomolekul a komplexních molekulových systémů Praha 2008 Introduction The world wide epidemic of AIDS is caused by two species of the human immunodeficiency virus (HIV-1 and HIV-2). Its 9200-bases-long RNA genome contains three main genes: gag, pol and env. The enzymes located within the pol gene (protease PR and reverse transcriptase RT) have become major targets for drug discovery, e.g. RT inhibitor Tenofovir disoproxil fumarate (DF) discovered by A. Holy at UOCHB in Prague and manufactured by Gilead Sciences and also already ten HIV-1 PR inhibitors (PIs) have been approved for use in the clinics: The evolution of drug...

Charles University in Prague Faculty of Science Department of Physical and Macromolecular Chemistry Interaction of heteroboranes with biomolecules: Accurate quantum chemical study Doctoral Thesis Abstract RNDr. Jindřich Fanfrlík Advisor: Prof. Ing. Pavel Hobza, DrSc. Institute of Organic Chemistry and Biochemistry, AS CR Center for Biomolecules and Complex Molecular Systems Prague 2008 Univerzita Karlova v Praze Přírodovĕdecká Fakulta Katedra fyzikální a makromolekulární chemie Interakce heteroboranů s biomolekulami: kvantovĕ chemická studie Autoreferát disertační práce RNDr. Jindřich Fanfrlík Školitel: Prof. Ing. Pavel Hobza, DrSc. Ústav organické chemie and biochemie, AV ČR Centrum biomolekul a komplexních molekulových systémů Praha 2008 Introduction The world wide epidemic of AIDS is caused by two species of the human immunodeficiency virus (HIV-1 and HIV-2). Its 9200-bases-long RNA genome contains three main genes: gag, pol and env. The enzymes located within the pol gene (protease PR and reverse transcriptase RT) have become major targets for drug discovery, e.g. RT inhibitor Tenofovir disoproxil fumarate (DF) discovered by A. Holy at UOCHB in Prague and manufactured by Gilead Sciences and also already ten HIV-1 PR inhibitors (PIs) have been approved for use in the clinics: The evolution of drug...