1. Drug Discovery @ UCIBIO
Maria João Ramos

2. Drug Discovery @ UCIBIO
UCIBIO is part of the Laboratório Associado

3. Drug Discovery @ UCIBIO
UCIBIO is part of the Laboratório Associado
With members from both Universities:

4. Drug Discovery @ UCIBIO
UCIBIO lies at the interface between CHEM & BIO
The DD Line combines the expertise at this interface
Its goal is to identify and synthesize new drug candidates with the following characteristics:
mM-nM affinity to the target.
No toxicity in cell lines and animal models.
Good oral bioavailability in animal models.
Original and patentable.
The wide range of expertise within UCIBIO embraces almost all stages of DD, putting the research line in an ideal situation to accomplish these goals, for the sake of the development of science and welfare of society.

5. Drug Discovery @ UCIBIO
Target Discovery Lead Discovery Lead Optimization ADMET Development Registration
Expression Analysis
In Vitro Function
In vivo validation; (e.g. knockouts)
Bioinformatics
Traditional Chem.
Combinatorial Chem.
SBDD
High Throuput Screening
Medicinal Chemistry
Rational Drug Design
Oral Activity Absortion Permeation Solubility Distribution Metabolsim Excretion Toxicity
Clinical trials;
Phases I-III
Europe (EMEA or country-by country)
U.S.A – FDA
Japan (MHLW)
Rest of the world
2-3 years year years years years years
10-12 years average cost: 2.6 billion USD (2014)

6. Drug Discovery @ UCIBIO
Preclinical Trials
Technology Transfer
IN SILICO OPTIMIZATION
SYNTHESIS
IN VITRO TESTING
IN VIVO TESTING
TARGET ID & STRUCTURE
VIRTUAL SCREENING
ADME & SAFETY

7. Drug Discovery @ UCIBIO
Preclinical Trials
Technology Transfer
IN SILICO OPTIMIZATION
SYNTHESIS
IN VITRO TESTING
IN VIVO TESTING
TARGET ID & STRUCTURE
VIRTUAL SCREENING
ADME & SAFETY

8. Drug Discovery @ UCIBIO
Preclinical Trials
Technology Transfer
IN SILICO OPTIMIZATION
SYNTHESIS
IN VITRO TESTING
IN VIVO TESTING
TARGET ID & STRUCTURE
VIRTUAL SCREENING
ADME & SAFETY

9. Drug Discovery @ UCIBIO
Preclinical Trials
Technology Transfer
IN SILICO OPTIMIZATION
SYNTHESIS
IN VITRO TESTING
IN VIVO TESTING
TARGET ID & STRUCTURE
VIRTUAL SCREENING
ADME & SAFETY

10. Drug Discovery @ UCIBIO
Preclinical Trials
Technology Transfer
IN SILICO OPTIMIZATION
SYNTHESIS
IN VITRO TESTING
IN VIVO TESTING
TARGET ID & STRUCTURE
VIRTUAL SCREENING
ADME & SAFETY

11. Drug Discovery @ UCIBIO
Preclinical Trials
Technology Transfer
IN SILICO OPTIMIZATION
SYNTHESIS
IN VITRO TESTING
IN VIVO TESTING
TARGET ID & STRUCTURE
VIRTUAL SCREENING
ADME & SAFETY

12. Drug Discovery @ UCIBIO
Preclinical Trials
Technology Transfer
IN SILICO OPTIMIZATION
SYNTHESIS
IN VITRO TESTING
IN VIVO TESTING
TARGET ID & STRUCTURE
VIRTUAL SCREENING
ADME & SAFETY

13. Drug Discovery @ UCIBIO
Preclinical Trials
Technology Transfer
IN SILICO OPTIMIZATION
SYNTHESIS
IN VITRO TESTING
IN VIVO TESTING
TARGET ID & STRUCTURE
VIRTUAL SCREENING
ADME & SAFETY

14. Drug Discovery @ UCIBIO
TARGET ID & STRUCTURE
VIRTUAL SCREENING
IN VITRO TESTING
ADME & SAFETY
Preclinical Trials
Technology Transfer
IN SILICO OPTIMIZATION
SYNTHESIS
IN VITRO TESTING
IN VIVO TESTING

15. Drug Discovery @ UCIBIO
1-DRUGS TARGETS & BIOMARKERS
Ribeiro et al, Biofactors, 42, , 2016.
2-THEORETICAL & COMPUTATIONAL BIOCHEMISTRY
Neves et al, PNAS, 114, E4724-E4733, 2017.
3-BIOMODELS, BIOANALYTICS AND BIOPHYSICS
Costa et al, Advanced Drug Delivery Reviews, 102, , 2016.
DTB – DRUGS TARGETS & BIOMARKERS
SMB – STRUCTURAL & MOLECULAR BIOLOGY
TBC – THEORETICAL & COMPUTATIONAL BIOCHEMISTRY
FMN – FUNCTIONAL MOLECULES & NANOMATERIALS
TOXI – TOXICOLOGY
BBB - BIOMODELS, BIOANALYTICS AND BIOPHYSICS
4-FUNCTIONAL MOLECULES & NANOMATERIALS
Barbosa et al, Carbohydrate Polymers, 165, , 2017.
5-TOXICOLOGY
Valente et al, Toxicol Sci., 153, , 2016.

16. Drug Discovery @ UCIBIO
TARGET ID & STRUCTURE
VIRTUAL SCREENING
IN VITRO TESTING
ADME & SAFETY
DRUGS TARGETS & BIOMARKERS
THEORETICAL & COMPUTATIONAL BIOCHEMISTRY
FUNCTIONAL MOLECULES & NANOMATERIALS
BIOMODELS, BIOANALYTICS AND BIOPHYSICS
FUNCTIONAL MOLECULES & NANOMATERIALS
TOXICOLOGY
IN SILICO OPTIMIZATION
SYNTHESIS
IN VITRO TESTING
IN VIVO TESTING
DTB – DRUGS TARGETS & BIOMARKERS – Natércia Teixeira
TBC – THEORETICAL & COMPUTATIONAL BIOCHEMISTRY – Maria João Ramos
FMN – FUNCTIONAL MOLECULES & NANOMATERIALS - Maria da Conceição Rangel
TOXI – TOXICOLOGY - Félix Carvalho
BBB - BIOMODELS, BIOANALYTICS AND BIOPHYSICS – Salette Reis
THEORETICAL & COMPUTATIONAL BIOCHEMISTRY
TOXICOLOGY | FUNCTIONAL MOLECULES & NANOMATERIALS
BIOMODELS, BIOANALYTICS AND BIOPHYSICS

17. Drug Discovery @ UCIBIO
Working, presently, on a heavily financed drug discovery project, which focus on drugs that target diabetes and related infections

18. Drug Discovery @ UCIBIO
Thank you!