@article {216,
	title = {COMPUTERS IN MEDICINAL CHEMISTRY. MOLECULAR MODELING AND CALCULATION OF THE STRUCTURE-CORRELATED PARAMETERS DESCRIBING SKIN PERMEABILITY OF THEAFLAVONOIDS},
	journal = {Problems of Education in the 21st Century },
	volume = {11},
	year = {2009},
	month = {May/2009},
	type = {Original article},
	chapter = {139-150},
	abstract = {The application of computational technique for predicting biological activity of chemicals plays an important role in development and design of new drugs. Being now a routine approach in medicinal chemistry, the method still encounters difficulties in teaching medical science students.
 In this paper the project of introduction the students to the computational tools and approaches usually used in pharmacy and medicine is presented. The project involves estimation of the skin permeability of theaflavonoids in respect to their usefulness in topical application. Topical application of flavonoids for inhibition of skin tumor is preferred because flavonoids are poorly absorbed from intestines and are decomposed by intestinal microorganisms.},
	keywords = {molecular modeling, theaflavonoids},
	issn = {1822-7864},
	url = {http://oaji.net/articles/2014/457-1392408980.pdf},
	author = {Marek Persona and Andrzej Persona and Tomasz G{\k e}ca and Agnieszka Kaczor and Dariusz Matosiuk}
}
@article {211,
	title = {TEACHING PROTEIN SCIENCE WITH APPLICATION OF COMPUTERS {\textendash} CASE STUDY OF BCL-2 PROTEIN FAMILY},
	journal = {Problems of Education in the 21st Century },
	volume = {11},
	year = {2009},
	month = {May/2009},
	type = {Original article},
	chapter = {69-77},
	abstract = {Proteins constitute the main group of molecular targets for most approved drugs. Moreover, more than 50\% of drugs target proteins are derived from only four gene families: class I G protein-coupled receptors (GPCRs), nuclear receptors, ligand-gated ion channels and voltage-gated ion channels. The above facts make the prediction of protein structures and the design of ligands which modulate their activity an essential skill for a contemporary medicinal chemist. However, both medicinal chemistry and bioinformatics are often neglected in circulars for chemistry and pharmacy studies.
 This article presents a proposal of computer classes on protein structure and function (10 hours), designated for the students of the third or fourth year of biology, chemistry or pharmacy. The course gets the students familiar with protein databases (eg. SwissProt and Protein Data Bank) as well as typical software for visualization of protein structures (eg. SPDBV, PyMol, Yasara). The participants get to know the diversity of proteins (GPCRs, ion channels, enzymes), learn how to analyze different levels of protein structures, to make a sequence alignment, to create a simple homology model and to analyze ligand-protein interactions. Most practical exercises concern the family of BCL-2 proteins which are apoptosis regulators. },
	keywords = {protein science, proteins as drug targets},
	issn = {1822-7864},
	url = {http://oaji.net/articles/2014/457-1392408585.pdf},
	author = {Agnieszka Kaczor and Dariusz Matosiuk and Andrzej Persona}
}
