Infopaket

Mechanisms of molecular recognition. Docking research

Вибіркова дисципліна для ОП

Second

2021/2022

3 Semester

5

PR01. Be able to perform a patent search, find and process the necessary scientific and technical information; independently apply for the invention. PR02. Know domestic and international copyright law. Be able to protect your intellectual property and avoid infringement of other people's intellectual property. PR03. Carry out technical and economic calculations of design decisions and analyze and evaluate their effectiveness, environmental and social consequences in the short and long term. PR04. Be able to choose and apply the most appropriate methods of mathematical modeling and optimization in the development of scientific and technical projects.

Full-time form

Successful mastering of the Bachelor EL courses. Knowledge of the theoretical foundations of biotechnology. Ability to independently apply the acquired knowledge and skills, perform practical work, work with scientific and methodological literature.

The subject of study of the discipline are current methods of searching for drugs. The need for a new generation of drugs is an urgent problem due to the spread of new dangerous diseases, such as Zika virus, and the emergence of drug-resistant strains of a number of pathogens and forms of serious diseases. Navigation in chemical space, work with databases of chemical compounds, skills of filtering large and ultra-large databases of heterocycles. Ability to work with biopolymer structures, and skills to process the results of doping programs highlighting key interactions in the model of the binding site.

1. Donald J. Abraham, David P. Rotella Burger's Medicinal Chemistry, Drug Discovery, and Development, 8 Volume Set, 6th Edition // John Wiley & Sons.- 2002. 2. Tari, Leslie W. Structure-Based Drug Discovery // Springer.- 2012 3. Kenneth M. Merz, Jr., Dagmar Ringe, Charles H. Reynolds, Drug Design: Structure- and Ligand-Based Approaches // Cambridge University Press.- 2010 4 Leach A.R. and Gillet V.J. Introduction to chemoinformatics. Revised Edition // Springer.- 2007

Lecture, practical classes, independent work

Semester assessment: 1. Modular test 1 - PH 1.1 - 20 points / 10 points 2. Modular test 2 - PH 1.2-1.3 - 20 points / 10 points 3. Report on practical work - PH 2.1-2.3 - 12 points / 6 points 4. Abstract - 8 points / 4 points Final assessment: in the form of an exam

Ukrainian