Name: Gian Pietro Miscione

Date and place of birth: 5 April 1969, Bologna (Italy)

Residence: Bogotá (Colombia)

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• Associate Professor at the Chemistry Department of the Universidad de los Andes de Bogotá (Colombia).

Ÿ Principal investigator and founder of the Computational Bio- Organic Chemistry Bogotá group (COBO) https://cobo.uniandes.edu.co dedicated to the study of bio- organic reactions and drug discovery.

My vision of the research is based on the integration of computational chemistry and experimental chemistry, biology and physics. The objective is to take advantage of the methods and prerogatives of complementary approaches to obtain a complete and more detailed view of the scientific problem. I consider essential to "cross borders" between different disciplines in order to build a modern investigation, based on the continuous exchange of information and skills and in an authentic collaborative work with students and researchers.

• Professor responsible of two or three course during each semester, among which: :

a) Organic Chemistry b) Computational Chemisty

c) Physical Chemistry

d) Chemistry

e) Advanced Quantum and Computational Chemistry

•  March 2001: PhD in Chemistry – University of Bologna (Italy) Title of the thesis: "Theoretical study of organic reactions mediated o catalyzed by transition metals” Supervisor: Prof. F. Bernardi

•  March 1996: Master in Chemistry, final grade: magna cum laude - University of Bologna (Italy Title of the thesis: "Theoretical study ab initio of reactions of olefines insertion into titanium-carbon bonds". Supervisor: Prof. A. Bottoni

• 2001-2006: Post-doc - University of Bologna (Italy) Investigation mainly focused on computational study of enzymatic and organometallic reactions mechanisms.

•  June 2006 – January 2007: Visiting investigator - University of Barcelona (Spain), department of physical chemistry in the group directed by Prof. J.J.Novoa, with grants “Marco Polo” of the University of Bologna and “HPC (High Performance Computers)-Europa” of the European Commission.

• February 2007 – September 2007: Investigation contract - Universidad “Pompeu Fabra”, Parque de investigación biomédica de Barcelona (PRBB) (Spain), in the group directed by Prof. J.Villà-Freixa.

•  2007-2014: Researcher (permanent position) at the Chemistry Department of the University of Bologna (Italy).

•  September 2010 – December 2010: Visiting professor - Universidad “Pompeu Fabra”, Parque de investigación biomédica de Barcelona (PRBB) (Spain), in the group directed by Prof. J.Villà-Freixa.

•  August 2012 – December 2012: Visiting professor - at the Chemistry Department of the Universidad de los Andes de Bogotá (Colombia).

•  Julio 2014 - Current: Associate Professor at the Chemistry Department of the Universidad de los Andes de Bogotá (Colombia).

1) Computational study of mechanisms and stereochemical evolution of organometallic and organic reactions.

2) Computational models of enzymatic reactions with ab initio methods, QM/MM, molecular dynamics and enhanced sampling methods.

3) Drug discovery and study of the behavior of proteins and enzymes using molecular dynamics and molecular docking.

All these lines of research are based on collaborations with scientists in Colombia, Italy, Spain, Uruguay and France.

1. Mode of action of p-quinone derivatives with trypanocidal activity studied by experimental and in silico models
2. A. Ballesteros-Casallas, C. Quiroga, C. Ortiz, D. Benítez, P. Denis, D. Figueroa, Cristian O. Salas, J. Bertrand, R. A. Tapia, P. Sánchez, G. P. Miscione, M. A. Comini, M. Paulino
3. European Journal of Medicinal Chemistry (2023), 246, 114926 https://doi.org/10.1016/j.ejmech.2022.114926
4. Influence of Steric Effect on the Pseudo-Multicomponent Synthesis of N-Aroylmethyl-4-Arylimidazoles
5. N. R. Elejalde-Cadena, M. García-Olave, D. Figueroa, P. Vidossich, G. P. Miscione, J. Portilla
6. Molecules (2022), 27(4), 1165 https://doi.org/10.3390/molecules27041165
7. Synthesis of 2,7-diarylpyrazolo [1,5-a] pyrimidine derivatives with antitumor activity. Theoretical identification of targets,
8. A. Ballesteros-Casallas, M. Paulino, P. Vidossich, C. Melo, E. Jiménez, J.-C. Castillo, J. Portilla, G. P. Miscione,
9. European Journal of Medicinal Chemistry Reports (2022), https://doi.org/10.1016/j.ejmcr.2021.100028
10. Novel complexes with ONNO tetradentate coumarin schiff-base donor ligands: x-ray structures, DFT calculations, molecular dynamics and potential anticarcinogenic activity.
11. Paula Daniela Mestizo, Diana M. Narváez, Jesús Alberto Pinzón-Ulloa, Daniela Torres Di Bello, Sebastián Franco-Ulloa, Mario A. Macías, Helena Groot, Gian Pietro Miscione, Leopoldo Suescun & John J. Hurtado. Biometals (2021) 34, 119–140 https://doi.org/10.1007/s10534-020-00268-8 (Q2).
12. Functional Implications of Second-shell Basic Residues for dUTPase DR2231 Enzymatic Specificity. P. Vidossich, L. E. Castañeda Moreno, C. Mota, D. de Sanctis, G. P. Miscione*, M. De Vivo ACS Catal. (2020) 10, 23, 13825 - 13833 (Q1).
13. Cu(II) and Zn(II) Complexes with Dinitrobenzoates and Pyrazolyl Ligands: Structural and Thermal Stability Influence of N–H Moiety. Juan F. Torres, Mario A. Macías, Sebastian Franco-Ulloa, Gian Pietro Miscione, Justo Cobo and John J. Hurtado. Cryst. Growth Des. (2019), DOI: 10.1021/acs.cgd.9b00246 (Q1).
14. Polymers of ε-Caprolactone Using New Copper(II) and Zinc(II) Complexes as Initiators: Synthesis, Characterization and X-Ray Crystal Structures. Andrés F. Posada, Mario A. Macías, Santiago Movilla, Gian Pietro Miscione, León D. Pérez and John J. Hurtado Polymers (2018), 10, 1239-1253 (Q1).
15. An intramolecular oxa-Michael reaction on α,β-unsaturated α-amino-δ-hydroxycarboxylic acid esters. Synthesis of functionalized 1,3-dioxanes.L. Becerra-Figueroa, S. Movilla, J. Prunet, G. P. Miscione * and D. Gamba-Sánchez. Org. Biomol. Chem., (2018), 16, 1277-1286 (Q1).
16. Novel Bacterial Topoisomerase Inhibitors Exploit Asp83 and the Intrinsic Flexibility of the DNA Gyrase Binding Site. S. Franco-Ulloa S., La Sala G., G.P. Miscione , M. De Vivo nternational Journal of Molecular Sciences 19, 453-465 (2018). (Q1, Computer Science Applications, Organic Chemistry, Physical and Theoretical Chemistry).
17. Covalent or Non‐Covalent? A Mechanistic Insight into the Enantioselective Brønsted Acid Catalyzed Dearomatization of Indoles with Allenamides P. Giacinto, A. Garelli, A. Bottoni, G.P. Miscione,* M. Bandini*, Chem Cat Chem 10, 2442–2449 (2018). (Q1 Organic Chemistry, Physical and Theoretical Chemistry).
18. Chromium(III) complexes bearing bis(benzotriazolyl)pyridine ligands: synthesis, characterization and ethylene polymerization behavior.John Hurtado, Nelson Nuñez-Dallos, Santiago Movilla, Gian Pietro Miscione, Brian C. Peoples, René Rojas, Mauricio Valderrama, and Roland Fröhlich. J. Coord Chem, 70: 5, 803-818 (2017). (Q2, Material Chemistry) - Q3 (Organic Chemistry, Physical and Theoretical Chemistry).
19. Unveiling the reaction machinery of the [Au(I)]-catalyzed synthesis of substituted acenes via [1,5]-H shift cascade reaction. M. Bandini,* G. Cera, G.P. Miscione*ChemCatChem 9, 316-327 (2017) (Q1 Organic Chemistry, Physical and Theoretical Chemistry).
20. A mechanistic insights into manganese-catalyzed oxidative homocoupling reactions of Grignard reagents: A computational DFT investigation. A. Bottoni, G. Cahiez, M. Calvaresi, A. Moyeux, P. Giacinto, G. P. Miscione J. Organomet. Chem. 814, 25-34 (2016). (Q1 Material Chemistry) - Q2 (Organic Chemistry, Physical and Theoretical Chemistry).
21. Gold(I)-dearomative [2+2]-Cycloaddition of Indoles with Activated Allenes. A Combined Experimental Computational Study. R. Ocello, A. De Nisi, M. Jia, Q.-Q. Yang, P. Giacinto, A. Bottoni, G.P. Miscione* and M. Bandini* Chem.Eur.J. 21, 18445-18453 (2015). (Q1).
22. [Au(I)]-assisted alpha Allylation of Enals and Enones with Alcohols. M.M Mastandrea, N. Mellonei, P. Giacinto, A. Collado, S.P. Nolan, G.P. Miscione, A. Bottoni and M. Bandini Angew.Chem.Int.Ed. 54, 14885-14889 (2015) (Q1).
23. A DFT mechanistic investigation of the gold(I) catalyzed synthesis of azepino[1,2-a]indoles. P. Giacinto, G. Cera, A. Bottoni, M. Bandini,* G. P. Miscione* Chem.Cat.Chem. 7, 2480-2484 (2015), VIP article. (Q1 Organic Chemistry, Physical and Theoretical Chemistry).