Trainings

1. Rules underlying the prediction of ADME-Tox and the pharmacokinetics profiles of chemical (1l+2a)

2. Databases for chemical compounds (1l+2a)

3. Computational methods used to predict ADME-Tox profiles and the pharmacokinetics of chemical compounds (1l+2a)

4. Computational methods used to predict the effects of chemical compounds on the environment (1l+2a)

1. Wound healing generalities: Short description of skin structure; Mechanism of wound healing; Cells involved in wound healing process: Platelets; Inflammatory Cells; Fibroblasts; Wound care methods (1h).

2. Compounds used in wound healing: Antimicrobial agents; Wound healing antimicrobial peptides; Tissue regeneration agents; Growth factors; Enzymes: chitinases, chitosanases, chitinases like-proteins; Enzymatic derivatives of chitin/chitosan and their wound healing involvement (1-2 h).

3. Polysaccharides with applications in wound healing processes: Carboxymethylcellulose; Starch; Chitosan; Chitin, Alginate (1h).

1. Introduction to bio-nano-materials: Classifications and applications of different types of bio-nano-materials; bio-nano-materials with applications in wound healing processes (1h).

2. Importance of in vitro testing of biomaterials used in wound healing: Methods and guidelines for in vitro testing; Batteries of tests – principle, classifications, examples (1h).

3. Assays used for in vitro testing for wound healing: Antimicrobial Susceptibility Tests; Viability assay; Proliferation assay; Adherence assay; Scratch-wound healing assay; Guidelines for in vitro testing of biomaterials (OECD, ISO)(1h).

1. Preparation of cell growth media

2. Culturing bacterial and yeast cells in culture plate with 96 wells, in liquid media petri dishes.

3. Agar diffusion

4. Dilution methods (MIC, MBC)

5. Preparation of human skin cell growth media

6. Culturing human skin cells in 96 and 24 well cell culture plates

7. Viability assay using MTT

8. Scratch wound healing assay

Many new drug development projects fail during clinical trials due to the ADME properties and / or adverse effects and toxicity due to drug metabolism and pharmacokinetics (DMPK). For this reason, the introduction of the ADME-Tox and DMPK tests at the start of the drug discovery phase is a widely used practice in the current period. Thus, various experimental and computational methods have been developed to obtain ADME-Tox and DMPK properties in a time and cost-effective manner. Since in vitro and in vivo experimental data on ADME-Tox and DMPK have accumulated, the precision of the computational methods used for such predictions has increased considerably and these are now widely used in the discovery of new drugs. Because the drugs additives may also have biological activity, these methods can also be used to study their ADME-Tox and DMPK properties.

In this course we present the theoretical basis of ADME-Tox and DMPK predictions, some computational programs that are used for this purpose, as well as some databases containing the descriptors useful for such predictions. Also, models for predicting the physicochemical properties of new compounds not present in the databases are discussed.

In addition to the theoretical part, there are also practical applications in which computational methods and databases are actually used, and the results obtained are compared with the literature data for an estimation of the accuracy of predictions.

O1.Knowledge and use of computational concepts, principles, methods and techniques to investigate the properties of biologically active molecules.

O2.Developing abilities to use databases containing information about chemical compounds with biological activity.

O3.Correlation of information obtained through computational techniques with clinical data and  human physiology.

1. Physico-chemical properties used as descriptors for biological activity – 1 hour lecture, 1 hour applications

2. Rules underlying the prediction of ADME-Tox and the pharmacokinetics profiles of chemical compounds – 1 hour lecture, 1 hour applications

3. Databases for chemical compounds – 1 hour lecture, 1 hour applications

4. Computational methods used to predict ADME-Tox profiles of chemical compounds – 2 lecture hours, 2 hours applications

5. Computational methods used to predict the pharmacokinetics of chemical compounds – 2 lecture hours, 2 hours applications

6. Computational methods used to predict molecular targets and biological effects of chemical compounds – 2 lecture hours, 2 hours applications

7. Computational methods used to predict the effects of chemical compounds on the environment – 2 lecture hours, 2 hours applications

8. Databases on the toxicity of chemical compounds and clinical data on exposure to them. – 1 hour lecture, 1 hour applications