Personal information

cheminformatics, drug discovery, artificial intelligence, computational drug discovery
Brazil, United Kingdom

Activities

Employment (3)

BenevolentAI (United Kingdom): London, GB

2022-08-31 to present | Senior Cheminformatics Data Scientist (Cheminformatics)
Employment
Source: Self-asserted source
Marcos V. S. Santana

University of Dundee: Dundee, Dundee, GB

2021-09-27 to 2022-08-31 | Computational Chemist (Drug Discovery Unit)
Employment
Source: Self-asserted source
Marcos V. S. Santana

Instituto Oswaldo Cruz: Rio de Janeiro, Rio de Janeiro, BR

2020-02 to 2021-09-27 | Postdoctoral Employee (Laboratório de Bioquímica Experimental e Computacional de Fármacos (LaBECFar))
Employment
Source: Self-asserted source
Marcos V. S. Santana

Education and qualifications (3)

Universidade Federal Fluminense: Niteroi, Rio de Janeiro, BR

2016-02 to 2020-02-04 | PhD (Instituto de Biologia)
Education
Source: Self-asserted source
Marcos V. S. Santana

Universidade Federal Fluminense: Niteroi, Rio de Janeiro, BR

2015-08 to 2016-12 | Master degree (Instituto de Biologia)
Education
Source: Self-asserted source
Marcos V. S. Santana

Universidade Federal Fluminense: Niteroi, RJ, BR

2009-03-10 to 2015-08 | Pharmacy Bachelor
Education
Source: Self-asserted source
Marcos V. S. Santana

Works (12)

De novo design and bioactivity prediction of SARS-CoV-2 main protease inhibitors using recurrent neural network-based transfer learning

BMC Chemistry
2021-12 | Journal article
Part of ISSN: 2661-801X
Source: Self-asserted source
Marcos V. S. Santana
grade
Preferred source (of 2)‎

COVID-19: molecular targets, drug repurposing and new avenues for drug discovery

Memórias do Instituto Oswaldo Cruz
2020 | Journal article
Part of ISSN: 1678-8060
Part of ISSN: 0074-0276
Source: Self-asserted source
Marcos V. S. Santana
grade
Preferred source (of 2)‎

Efficient Synthesis and Antibacterial Profile of Bis(2-hydroxynaphthalene- 1,4-dione)

Current Topics in Medicinal Chemistry
2020-02-19 | Journal article
Part of ISSN: 1568-0266
Source: Self-asserted source
Marcos V. S. Santana
grade
Preferred source (of 2)‎

Investigation of 1-(2-benzothiazolyl)-3-methylpyrazol-5-one as a corrosion inhibitor for carbon steel in 1mol L<sup>-1</sup> hydrochloric acid,Investigação da 1-(2-benzotiazolil)-3-metilpirazol-5-ona como Inibidor de Corrosão para Aço Carbono em 1 mol L<sup>-1</sup> de Ácido Clorídrico

Revista Virtual de Quimica
2018 | Journal article
EID:

2-s2.0-85044160527

Part of ISSN: 19846835
Contributors: Maia, C.E.B.; Romeiro, G.A.; Veloso, M.C.C.; Dos Santos, M.F.; Santana, M.V.S.; Peixoto, B.S.; Rodrigues, R.V.
Source: Self-asserted source
Marcos V. S. Santana via Scopus - Elsevier

Molecular modeling of benzimidazole derivatives: A promising series of GluN2B selective NMDA receptor antagonists

Current Drug Therapy
2018 | Journal article
EID:

2-s2.0-85049914288

Part of ISSN: 10657630 15748855
Contributors: Santana, M.V.; Castro, H.C.; Abreu, P.A.
Source: Self-asserted source
Marcos V. S. Santana via Scopus - Elsevier

Pyrazolyl-Tetrazoles and Imidazolyl-Pyrazoles as Potential Anticoagulants and their Integrated Multiplex Analysis Virtual Screening

Journal of the Brazilian Chemical Society
2018 | Journal article
Part of ISSN: 0103-5053
Part of ISSN: 1678-4790
Source: Self-asserted source
Marcos V. S. Santana
grade
Preferred source (of 2)‎

Antileishmanial Thioureas: Synthesis, Biological Activity and <i>in Silico</i> Evaluations of New Promising Derivatives

Chemical and Pharmaceutical Bulletin
2017 | Journal article
Part of ISSN: 0009-2363
Part of ISSN: 1347-5223
Source: Self-asserted source
Marcos V. S. Santana
grade
Preferred source (of 2)‎

Synthesis and antimicrobial evaluation of promising 7-arylamino-5,8-dioxo-5,8-dihydroisoquinoline-4-carboxylates and their halogenated amino compounds for treating Gram-negative bacterial infections

RSC Advances
2017 | Journal article
EID:

2-s2.0-85016470018

Part of ISSN: 20462069
Contributors: Novais, J.S.; Campos, V.R.; Silva, A.C.J.A.; De Souza, M.C.B.V.; Ferreira, V.F.; Keller, V.G.L.; Ferreira, M.O.; Dias, F.R.F.; Vitorino, M.I.; Sathler, P.C. et al.
Source: Self-asserted source
Marcos V. S. Santana via Scopus - Elsevier

NMDA Receptor as a Molecular Target for Central Nervous System Disorders: The Advances and Contributions of Molecular Modeling

Frontiers in Clinical Drug Research - CNS and Neurological Disorders
2017-12-21 | Book chapter
Part of ISSN: 2214-7527
Source: Self-asserted source
Marcos V. S. Santana

Targeting CYP51 for drug design by the contributions of molecular modeling

Fundamental & Clinical Pharmacology
2017-02 | Journal article
Part of ISSN: 0767-3981
Source: Self-asserted source
Marcos V. S. Santana
grade
Preferred source (of 2)‎

Human thromboxane synthase: comparative modeling and docking evaluation with the competitive inhibitors Dazoxiben and Ozagrel

Journal of Enzyme Inhibition and Medicinal Chemistry
2014-08-01 | Journal article
Part of ISSN: 1475-6366
Part of ISSN: 1475-6374
Source: Self-asserted source
Marcos V. S. Santana
grade
Preferred source (of 2)‎

Molecular Modeling of a Phenyl-Amidine Class of NMDA Receptor Antagonists and the Rational Design of New Triazolyl-Amidine Derivatives

Chemical Biology & Drug Design
2013-02 | Journal article
Part of ISSN: 1747-0277
Source: Self-asserted source
Marcos V. S. Santana
grade
Preferred source (of 2)‎