Natália Luísa de Moura Aniceto (9F18-67B4-9442)

Curriculum Vitae

Natália Luísa de Moura Aniceto

Natália Aniceto has a degree in Pharmaceutical Sciences (completed in 2012) and has developed her Master thesis in pharmaceutical sciences and drug delivery (Henri Poincare University, France, 2012). She did her PhD in cheminformatics (University of Kent, 2018), working on the QSAR modelling of volume of distribution and ATP-Binding Cassette drug transporters. During her PhD she spent 6 months in Novatis (Basel, Switzerland) where she worked on methods to improve screening efficiency, and screening methods to screen for compounds that exhibit a gene expression profile of interest. She then joined the Bender group (University of Cambridge, UK) for year as a post-doc where she worked on modelling compound synergy. She also worked as a hired consultant in project for AstraZeneca (Cambridge, UK). She is currently a junior researcher at the medicinal chemistry group in Faculty of Pharmacy, University of Lisbon (Lisbon, Portugal), which she joined in 2019.

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Identification

Personal identification

Full name: Natália Luísa de Moura Aniceto

Citation names

Aniceto, Natália

Author identifiers

Ciência ID: 9F18-67B4-9442
ORCID iD: 0000-0001-7039-0022

Email addresses

nataliaaniceto@ff.ul.pt (Professional)
nataliaaniceto@ff.ulisboa.pt (Professional)

Addresses

Av. Prof. Gama Pinto, 1649-003, Lisbon, Lisbon, Portugal (Professional)

Knowledge fields

Medical and Health Sciences - Basic Medicine - Medicinal Chemistry
Exact Sciences - Computer and Information Sciences - Bioinformatics
Exact Sciences - Computer and Information Sciences

Languages

Language	Speaking	Reading	Writing	Listening	Peer-review
Portuguese (Mother tongue)
English	Proficiency (C2)	Proficiency (C2)	Proficiency (C2)	Proficiency (C2)	Proficiency (C2)

Education

	Degree	Classification
2014/10/01 - 2018/05/01 Concluded	PhD in Cheminformatics (Doctor of Philosophy) Major in Cheminformatics Medway School of Pharmacy, United Kingdom	Approved with minor corrections
2007 - 2012 Concluded	Integrated Master's in Pharmaceutical Sciences (Mestrado) Universidade Lusófona de Humanidades e Tecnologias, Portugal "Physicochemical properties and cyclodextrin inclusion processes of two organoarsenical drugs for oral delivery" (THESIS/DISSERTATION)	15/20

Affiliation

Science

	Category Host institution	Employer
2019/12/18 - 2025/12/18	Contracted Researcher (Research)	Universidade de Lisboa Instituto de Investigação do Medicamento, Portugal
	Universidade de Lisboa Instituto de Investigação do Medicamento, Portugal
2019/02/01 - 2019/12/17	Postdoc (Research)	Universidade de Lisboa Instituto de Investigação do Medicamento, Portugal
	Universidade de Lisboa Instituto de Investigação do Medicamento, Portugal
2017/11/01 - 2019/01/31	Postdoc (Research)	University of Cambridge, United Kingdom
	University of Cambridge, United Kingdom
2013 - 2014	Research Assistant (Research)	Associação para a Investigação e Desenvolvimento da Faculdade de Medicina, Portugal
	Universidade de Lisboa Faculdade de Medicina, Portugal (...)

Teaching in Higher Education

	Category Host institution	Employer
2013/03/01 - 2013/09/30	Assistant (University Teacher)	Universidade Lusófona de Humanidades e Tecnologias, Portugal

2012/10/01 - 2013/02/28	Assistant (University Teacher)	Universidade Lusófona de Humanidades e Tecnologias, Portugal

Projects

Grant

	Designation	Funders
2022/01/01 - 2025/01/31	AntibacML: Harnessing shared chemical and activity patterns in antimicrobial compounds to build improved computational models for the discovery of new antibiotics 2022.03752.PTDC Principal investigator Universidade de Lisboa Instituto de Investigação do Medicamento, Portugal	Ongoing
2022/01/17 - 2023/07/16	ChemSlotProtein: Expanding the druggable universe to unlock chemists´ creativity EXPL/QUI-OUT/1288/2021 Co-Principal Investigator (Co-PI) Universidade de Lisboa Instituto de Investigação do Medicamento, Portugal FCiênciasID Associação para a Investigação e Desenvolvimento de Ciências, Portugal	Fundação para a Ciência e a Tecnologia Ongoing
2022/01/10 - 2022/06/10	Using a Genetic Algorithm to design new urease inhibitors CPCA/A1/407814/2021 Principal investigator	Fundação para a Ciência e a Tecnologia Ongoing
2020 - 2021	Expanding the druggable target space CPCA/A2/6972/2020 Co-Principal Investigator (Co-PI)	Fundação para a Ciência e a Tecnologia Concluded

Outputs

Publications

Book chapter

Harry Yang; Natalia Aniceto; Chad Allen; Krishna C. Bulusu; Siu Lun Tsang. "Predicting Anticancer Synergistic Activity through Machine Learning and Natural Language Processing". 2022.
10.1201/9781003150886-5
Catarina Oliveira Silva; Nuno Martinho; Aniceto, Natália; Catarina Pinto Reis. "Melanoma Prevention: Challenges and Progresses in Nanotechnology for Melanoma Prevention and Treatment". In CRC Concise Encyclopedia of Nanotechnology. CRC Press, 2016.
Published

Journal article

Natália Aniceto; Tânia S. Albuquerque; Vasco D. B. Bonifácio; Rita C. Guedes; Nuno Martinho. "Using Machine Learning and Molecular Docking to Leverage Urease Inhibition Data for Virtual Screening". International Journal of Molecular Sciences (2023): https://doi.org/10.3390/ijms24098180.
10.3390/ijms24098180
Natália Aniceto; Vasco D. B. Bonifácio; Rita C. Guedes; Nuno Martinho. "Exploring the Chemical Space of Urease Inhibitors to Extract Meaningful Trends and Drivers of Activity". Journal of Chemical Information and Modeling (2022): https://doi.org/10.1021/acs.jcim.2c00150.
10.1021/acs.jcim.2c00150
Natália Aniceto; Vanda Marques; Joana D. Amaral; Patrícia A. Serra; Rui Moreira; Cecília M. P. Rodrigues; Rita C. Guedes. "Harnessing Protein-Ligand Interaction Fingerprints to Predict New Scaffolds of RIPK1 Inhibitors". Molecules (2022): https://doi.org/10.3390/molecules27154718.
10.3390/molecules27154718
Carlota Leonardo-Sousa; Andreia Neves Carvalho; Romina A. Guedes; Pedro M. P. Fernandes; Natália Aniceto; Jorge A. R. Salvador; Maria João Gama; Rita C. Guedes. "Revisiting Proteasome Inhibitors: Molecular Underpinnings of Their Development, Mechanisms of Resistance and Strategies to Overcome Anti-Cancer Drug Resistance". Molecules 27 7 (2022): 2201-2201. https://doi.org/10.3390/molecules27072201.
10.3390/molecules27072201
Rocha, Sónia; Aniceto, Natália; Guedes, Rita C.; Albuquerque, Hélio M. T.; Silva, Vera L. M.; Silva, Artur M. S.; Corvo, Maria Luísa; Fernandes, Eduarda; Freitas, Marisa. "An In Silico and an In Vitro Inhibition Analysis of Glycogen Phosphorylase by Flavonoids, Styrylchromones, and Pyrazoles". Nutrients 14 2 (2022): 306. http://dx.doi.org/10.3390/nu14020306.
10.3390/nu14020306
Filipe G. A. Estrada; Silvia Miccoli; Natalia Aniceto; Alfonso T. García-Sosa; R. C. Guedes. "Exploring EZH2-Proteasome Dual-Targeting Drug Discovery through a Computational Strategy to Fight Multiple Myeloma". Molecules (2021): https://www.mdpi.com/1420-3049/26/18/5574.
10.3390/molecules26185574
Rocha, Sónia; Lucas, Mariana; Silva, Vera L.M.; Gomes, Pedro M.O.; Silva, Artur M.S.; Araújo, Alberto N.; Aniceto, Natália; et al. "Pyrazoles as novel protein tyrosine phosphatase 1B (PTP1B) inhibitors: An in vitro and in silico study". International Journal of Biological Macromolecules 181 (2021): 1171-1182. http://dx.doi.org/10.1016/j.ijbiomac.2021.04.061.
10.1016/j.ijbiomac.2021.04.061
Brito, H.; Marques, V.; Afonso, M.B.; Brown, D.G.; Börjesson, U.; Selmi, N.; Smith, D.M.; et al. "Phenotypic high-throughput screening platform identifies novel chemotypes for necroptosis inhibition". Cell Death Discovery 6 1 (2020): http://www.scopus.com/inward/record.url?eid=2-s2.0-85079729058&partnerID=MN8TOARS.
10.1038/s41420-020-0240-0
Vlot, Anna H.C.; Aniceto, Natália; Menden, Michael P.; Ulrich-Merzenich, Gudrun; Bender, Andreas. "Applying synergy metrics to combination screening data: agreements, disagreements and pitfalls". Drug Discovery Today 24 12 (2019): 2286-2298. http://dx.doi.org/10.1016/j.drudis.2019.09.002.
10.1016/j.drudis.2019.09.002
Guedes, R.A.; Aniceto, N.; Andrade, M.A.P.; Salvador, J.A.R.; Guedes, R.C.. "Chemical patterns of proteasome inhibitors: Lessons learned from two decades of drug design". International Journal of Molecular Sciences 20 21 (2019): http://www.scopus.com/inward/record.url?eid=2-s2.0-85074392958&partnerID=MN8TOARS.
10.3390/ijms20215326
Svensson, Fredrik; Aniceto, Natalia; Norinder, Ulf; Cortes-Ciriano, Isidro; Spjuth, Ola; Carlsson, Lars; Bender, Andreas. "Conformal Regression for Quantitative Structure–Activity Relationship Modeling—Quantifying Prediction Uncertainty". Journal of Chemical Information and Modeling 58 5 (2018): 1132-1140. http://dx.doi.org/10.1021/acs.jcim.8b00054.
10.1021/acs.jcim.8b00054
Duarte, H.; Cruz, J.P.; Aniceto, N.; Ribeiro, A.C.; Fernandes, A.; Paixão, P.; Antunes, F.; Morais, J.. "Population Approach to Efavirenz Therapy". Journal of Pharmaceutical Sciences 106 10 (2017): 3161-3166. http://www.scopus.com/inward/record.url?eid=2-s2.0-85026645839&partnerID=MN8TOARS.
10.1016/j.xphs.2017.06.004
Aniceto, Natália; Freitas, Alex A.; Bender, Andreas; Ghafourian, Taravat. "A novel applicability domain technique for mapping predictive reliability across the chemical space of a QSAR: reliability-density neighbourhood". Journal of Cheminformatics 8 1 (2016): http://dx.doi.org/10.1186/s13321-016-0182-y.
10.1186/s13321-016-0182-y
Aniceto, Natália; Freitas, Alex A.; Bender, Andreas; Ghafourian, Taravat. "Simultaneous Prediction of four ATP-binding Cassette Transporters’ Substrates Using Multi-label QSAR". Molecular Informatics 35 10 (2016): 514-528. http://dx.doi.org/10.1002/minf.201600036.
10.1002/minf.201600036
Michaelis, Martin; Rothweiler, Florian; Wurglics, Mario; Aniceto, Natália; Dittrich, Michaela; Zettl, Heiko; Wiese, Michael; et al. "Substrate-specific effects of pirinixic acid derivatives on ABCB1-mediated drug transport". Oncotarget 7 10 (2016): 11664-11676. http://dx.doi.org/10.18632/oncotarget.7345.
10.18632/oncotarget.7345
Paixão, P.; Aniceto, N.; Gouveia, L.F.; Morais, J.A.G.. "Prediction of drug distribution in rat and humans using an artificial neural networks ensemble and a PBPK model". Pharmaceutical Research 31 12 (2014): 3313-3322. http://www.scopus.com/inward/record.url?eid=2-s2.0-84936100946&partnerID=MN8TOARS.
10.1007/s11095-014-1421-4
Catarina Pinto Reis; João Pinto Ferreira; Sara Candeias; Cátia Fernandes; Martinho, Nuno; Aniceto, Natália; António Silvério Cabrita; Isabel V. Figueiredo. "Ibuprofen Nanoparticles for Oral Delivery: Proof of Concept". Journal of Nanomedicine & Biotherapeutic Discovery 04 01 (2014): http://dx.doi.org/10.4172/2155-983x.1000119.
10.4172/2155-983x.1000119
Paixão, P.; Aniceto, N.; Gouveia, L.F.; Morais, J.A.G.. "Tissue-to-blood distribution coefficients in the rat: Utility for estimation of the volume of distribution in man". European Journal of Pharmaceutical Sciences 50 3-4 (2013): 526-543. http://www.scopus.com/inward/record.url?eid=2-s2.0-84883721885&partnerID=MN8TOARS.
10.1016/j.ejps.2013.08.020
Becherirat, S.; Lanhers, M.-C.; Socha, M.; Yemloul, M.; Astier, A.; Loboda, C.; Aniceto, N.; Gibaud, S.. "The antitumor effects of an arsthinol-cyclodextrin complex in a heterotopic mouse model of glioma". European Journal of Pharmaceutics and Biopharmaceutics 85 3 PART A (2013): 560-568. http://www.scopus.com/inward/record.url?eid=2-s2.0-84888370315&partnerID=MN8TOARS.
10.1016/j.ejpb.2013.06.021