Group Leader/s



The Translational medicinal and biological chemistry group is focused on the design, synthesis, biological evaluation, study and further optimization of pharmacokinetic properties of structurally diverse chemical entities for drug discovery. The efforts of our group are focused on the discovery of innovative drugs with novel mechanism of action as disease-modifying agents for unmet severe pathologies such as neurodegenerative and infectious diseases. Our group applies medicinal chemistry programs combining classical and computational medicinal chemistry.

For the design of our drugs (mainly small heterocyclic molecules with MW<500), different strategies will be used. These include computer-aided drug design, multifunctional compounds bearing different pharmacophore moieties in the same molecule to interact with different targets, and improving ADME properties of the candidates, among others. The group has developed an in-house chemical library (called MBC library) containing over 1200 compounds with privileged scaffolds which is continuously growing and extensively used in our directed biological and computational screening programs.

Our research is applied with a high content of translational research. The group's research programs are designed from the early stages of drug discovery to proof of efficacy in representative animal models. Scientific collaborations and technology transfer to companies in the pharmaceutical sector are key tasks in achieving our goals.



Sebastián-Pérez, V.; García-Rubia, A.; Seif el-Din, S. H.; Sabra, A.-N. A.; El-Lakkany, N. M.; William, S.; Blundell, T. L.; Maes, L.; Martinez, A.; Campillo, N. E.; Botros, S. S.; Gil, C.  [2020]. Deciphering the enzymatic target of a new family of antischistosomal agents bearing a quinazoline scaffold using complementary computational tools. J. Enz. Inh. Med. Chem. 2020, 35, 511-523.

Martínez de Iturrate, P.; Sebastián-Pérez, V.; Nácher-Vázquez, M.; Tremper, C. S.; Smirlis, D.; Martin, J.; Martínez, A.; Campillo, N. E.; Rivas, L.; Gil, C.  [2020]. Towards discovery of new leishmanicidal scaffolds able to inhibit Leishmania GSK-3. J. Enz. Inh. Med. Chem. 2020,35, 199-210.

Botros, S. S.; Williams, S.; Sabra, A-N. A.; El-Lakkany, N. M.; Seif el-Din, S. H.; Sterk, G. J.; Salado, I. G.; Augustyns, K.; García-Rubia, A.; Sebastian-Perez, V.; Maes, L.; Munday, J. C.; Leurs, R.; Gil, C.; De Koning, H. P  [2019]. Antischistosomal screening of a PDE-focused library identifies imidazoles with in vitro and in vivo activity. Int. J. Parasitol.: Drugs Drug Resist. 2019, 9, 35-43.

de Araújo, J. S.; Garcia-Rubia, A.; Sebastian-Perez, V.; Kalejaiye, T. D.; Bernardino da Silva, P.; Fonseca-Berzal, C. R.; Maes, L.; De Koning, H.; Soeiro, M. N. C.; Gil, C.  [2019]. Imidazole derivatives as promising agents for the treatment of Chagas disease. Antimicrob. Agents Chemother. 2019, 63, e02156-18.

Sebastián-Pérez, V.; Martinez, M. J.; Gil, C.; Campillo, N. E.; Martinez, A.; Ponzoni, I.  [2019]. Inference of QSAR Models for identifying LRRK2 inhibitors for the treatment of Parkinson’s Disease. J. Integr. Bioinform. 2019, 20180063.

Martinez, A.; Gil, C.  [2019]. “Protein kinase inhibitors for the treatment of Multiple Sclerosis” en Emerging Drugs and Targets for Multiple Sclerosis. Ed. A. Martínez, Royal Society of Chemistry. 2019, 170-196.

Sebastian-Pérez, V.; Schroeder, S.; Munday, J. C.; van der Meer, T.; Zaldívar-Díez, J.; Siderius, M.; de Koning, H. P.; Brown, D.; Martinez, A.; Campillo, N. E.; Leurs, R.; Gil, C.  [2019]. Discovery of novel Schistosoma mansoni SmPDE4A inhibitors as potential agents against schistosomiasis. Fut. Med. Chem. 2019, 11, 1703-1720.

Ponzoni, I.; Sebastian-Perez, V.; Martinez, M. J.; Roca, C.; De la Cruz, C.; Perez, C.; Cravero, F.; Vazquez, G.; Paez, J. A.; Diaz, M. F.; Campillo, N. E.  [2019]. QSAR classification models for predicting the activity of inhibitors of Beta-Secretase (BACE1) associated with Alzheimer's disease. Sci. Rep. 2019, 9, 9102.

Posa, D.; Martinez-Gonzalez, L.; Bartolome, F.; Nagaraj, S.; Porras, G.; Martinez, A.; Martin-Requero, A.  [2018]. Recapitulation of pathological TDP-43 features in immortalized lymphocytes from sporadic ALS patients. Mol. Neurobiol. 2018, doi: 10.1007/s12035-018-1249-8.

Kraft, C.; Boya, P.; Codogno, P.; Elazar, Z.; Eskelinen, E. L.; Farres, J.; Kirkin, V.; Jungbluth, H.; Martinez, A.; Pless, O.; Primard, C.; Proikas-Cezanne, T.; Simonsen, A.; Reggiori, F.  [2018]. Driving next-generation autophagy researchers towards translation (DRIVE), an international PhD training program on autophagy. Autophagy 2018, 1-5.





Multitarget-designed small molecules targeting protein kinase and BACE1: A new approach for prevention and treatment of cognitive disorders (SAF2016-76693-R)

01.01.2017 - 31.12.2020
PI: Dr. Ana Martinez

Design and development of innovative drug for Amyotrophic Lateral Sclerosis (ELA-Madrid-CM) B2017/BMD3813

Programa de actividades de i+D entre grupos de investigación de la Comunidad de Madrid en Biomedicina.
Coordinator: Dr. Ana Martínez

Spanish network of drug discovery (SAF2017-90913-REDT)

MINECO Redes de Excelencia Program
PI (CSIC): Dr. Ana Martínez

Combination of computational, biological and synthetic strategies to be applied in drug development (RTI2018-096100B-100)

1-2019 / 12-2021
IP: Dra. Nuria E. Campillo

Design and Synthesis of broad spectrum antivirals (PIE-201980E024)

CSIC, Proyectos Intramurales Especiales
PI: Dr. Carmen Gil

Ensuring long-term sustainability of excellence in chemical biology within Europe and beyond EU-OPENSCREEN-DRIVE (GA 823893)

European Union H2020-INFRADEV-2018-2020
Coordinator: Prof. Wolfgang Fecke (FMP Berlin). PI (CSIC): Dr. Ana Martínez

Locking cells against Ebola virus (HR18-00469)

“La Caixa” Banking Foundation Health Research 2019 Call
Coordinator: Dr. Carmen Gil


Strengthening the druggability of protein kinases of Leishmania. Drug discovery of specific parasite protein kinase inhibitors (SAF2015-65740-R)

01.01.2016 - 31.07.2019
PIs: Drs. Carmen Gil and Luis Rivas

From fragments to hits: Exploiting the potential of dynamic combinatorial chemistry in drug discovery (CTQ2015-69643-R)

01.01.2016 - 31.12.2018
PI: Dr. Ruth Pérez Fernández

Chemoinformatics to discover multitarget drugs for the treatment of Alzheimer’s disease (CTQ2015-66313-R)

01.01.2016 - 30.09.2018
PI: Drs. Nuria E. Campillo and Angeles Martín Requero

Eyes: a diagnosis window to the brain (SAF2015-72325-EXP)

01.06.2016 - 31.05.2017
PI: Dr. Ana Martinez

Development of innovative therapies for Parkinson’s disease (RTC-2015-3439-1).

01.70-2015 – 31.12-2018
PI: Dr. Ana Martinez

Spanish network of drug discovery (SAF2015-71892-REDT).

MINECO, Redes de Excelencia Program
01.01.-2016 – 31.12.2017
PI (CSIC): Dr. Ana Martínez

Parasite-specific cyclic nucleotide phosphodiesterase inhibitors to target neglected parasitic diseases-PDE4NPD (GA 602666)

UE, FP7-Health Program
1.03.2014 - 28.02.2018
Coordinator: Prof. Rob Leurs (VUA). PI (CSIC): Dr. Carmen Gil


More info

Outreach activities


Pint of Science (

Title: Cómo ser un fármaco y no morir en el intento
Carmen Gil and Nuria E. Campillo   

Location: Madrid
Date: 24 Mayo 2016             



“¿Qué sabemos de?” institutional program (

Title: Parkinson y Alzheimer: avances en el tratamiento
Ana Martinez

Location: Lanzarote
Date: 24 Mayo 2016



Title: Parkinson y Alzheimer: avances en el tratamiento
Ana Martinez

Location: Fuerteventura
Date: 25 Mayo 2016


Title: Ciencia y emprendimiento: del laboratorio a la farmacia
Ana Martinez

Location: Madrid
Date: 14 Enero 2016


“Primavera para el recuerdo”
Title: ¿Qué sabemos del Alzheimer? (

Ana Martinez

Location: Huesca
Date: 6 Mayo 2016


“Ciudad Ciencia” institutional program (

Title: ¿Que sabemos del Alzheimer?
Ana Martinez

Location: Plasencia
Date: 13 April 2015


Title: ¿Qué sabemos del Parkisnon?
Ana Martinez

Location: Barbastro
Date: 26 November 2015


Title: ¿Qué sabemos del Parkisnon?
Ana Martinez

Location: Valdepeñas
Date: 10 December 2015



Title: ¿Qué sabemos del Alzheimer?
Ana Martinez
Editorial: CSIC and Catarata ISBN: 978-84-00-08818-7

Title: ¿Qué sabemos del Parkinson?
Carmen Gil and Ana Martinez
Editorial: CSIC and Catarata ISBN: 978-0-470-95917-6.

Title: ¿Qué sabemos de cómo se fabrica un medicamento?
Nuria E. Campillo and María del Carmen Fernández
Editorial: CSIC and Catarata ISBN:
















10-13/11/2015 Science Week
“Paracetamol synthesis” Hands on workshop with more than 80 High School students.