Norma Rosario Flores Holguín

Education

CIMAV

Doctorate in Materials Science (2007)

Academic Interest

• Molecular modeling
• Photovoltaic Solar Cells
• Computational Medicinal Nanochemistry

Recent Publications

• Investigation of Antifungal Properties of Synthetic Dimethyl-4-Bromo-1-(Substituted Benzoyl) Pyrrolo [1,2-a]Quinoline-2,3-Dicarboxylates Analogues: Molecular Docking Studies and Conceptual DFT-based Chemical Reactivity Descriptors and Pharmacokinetics Eva

  Vijayakumar Uppar, Sandeep Chandrashekharappa, Chandan Shivamallu, Sushma P, Shiva Prasad Kollur, Joaquín Ortega-Castro, Juan Frau, Norma Flores-Holguín, Atiyaparveen I Basarikatti, Mallikarjun Chougala, Mrudula Mohan M, Govindappa Banuprakash, Jayadev, Katharigatta N. Venugopala, B. P. Nandeshwarappa, Asad Syed, Najat Marraiki, Kiran K Mudnakudu-Nagaraju, Basavaraj Padmashali and Daniel Glossman-Mitnik
  Molecules, Vol.26. No.2722. pp1-20 (2021)

• Evaluation of Annona muricata Acetogenins as Potential Anti-SARS-CoV-2 Agents Through Computational Approaches

  Shashanka K. Prasad, Sushma Pradeep, Chandan Shimavallu, Shiva Prasad Kollur, Asad Syed, Najat Marraiki, Chukwuebuka Egbuna, Mihnea-Alexandru Gaman, Olga Kosakowska, William C. Cho, Kingsley Chukwuemeka Patrick-Iwuanyanwu, Joaquín Ortega Castro, Juan Frau, Norma Flores-Holguín and Daniel Glossman-Mitnik
  Frontiers in Chemistry, Vol.8. No.624716. pp1-7 (2021)

• Preparation, Spectroscopic Characterization and Theoretical Investigations of Cd(II), Ni(II), Zn(II) and Cu(II) Complexes of 4(3H)-quinazolinone Derived Schiff Base

  Ubale Panchsheela Ashok, Shiva Prasad Kollur, Nishad Anil, Bansode Prakash Arun, Sanjay Namdev Jadhav, Sanjay Sarsamkar, Vasant Baburao Helavi, Asha Srinivasan, Sandeep Kaulage, Ravindra Veerapur, Sarah Al-Rashed, Asad Syed, Joaquín Ortega-Castro, Juan Frau, Norma Flores-Holguín and Daniel Glossman-Mitnik
  Molecules, Vol.25. No.24. pp5973 (2020)

• Virtual Screening of Marine Natural Compounds by Means of Chemoinformatics and CDFT-based Computational Peptidology,

  Norma Flores-Holguín, Juan Frau and Daniel Glossman-Mitnik
  Marine Drugs, Vol.18. No.478. pp1-17 (2020)

• Conceptual DFT-based Computational Peptidology of Marine Natural Compounds: Discodermins A-H

  Norma Flores-Holguín, Juan Frau and Daniel Glossman-Mitnik
  Molecules, Vol.25. No.4158. pp1-20 (2020)

• In vitro Anticancer Activity of 4(3H)-Quinazolinone Derived Schiff Base and its Cu(II), Zn(II) and Cd(II) Complexes: Preparation, X-ray Structural, Spectral Characterization and Theoretical Investigations

  Ubale Panchsheela Ashok, Shiva Prasad Kollur, Bansode Prakash Arun, Chavan Sanjay, Karhale Shrikrishna Suresh, Nishad Anil, Helavi Vasant Baburao, Datta Markad, Joaquín Ortega Castro, Juan Frau, Norma Flores-Holguín and Daniel Glossman-Mitnik
  Inorganica Chimica Acta, Vol.511. No.119846. pp1-10 (2020)

• Influence on the Reactivity Properties of the Substitution by Different Halogens on the Conjugated Backbone of the 1,3,5-triaryl-2-pyrazoline Skeleton in Relation to the Increasing Alkyloxy Chain Length. A Conceptual Density Functional Theory Study

  Norma Flores-Holguín, Asghar Abbas and Daniel Glossman-Mitnik
  Journal of Molecular Modeling, Vol.26. No.174. pp1-12 (2020)

• Theoretical Modifications of the Molecular Structure of Aurantinidin and Betanidin Dyes to Improve their Efficiency as Dye Sensitized Solar Cells

  Aanuoluwapo Raphael Obasuyi, Daniel Glossman-Mitnik and Norma Flores-Holguín
  Journal of Computational Electronics, Vol.19. No.2. pp507-515 (2020)

• A Fast and Simple Evaluation of the Chemical Reactivity Properties of the Pristinamycin Family of Antimicrobial Peptides

  Norma Flores-Holguín, Juan Frau and Daniel Glossman-Mitnik
  Chemical Physics Letters, Vol.739. No.137021. pp1-5 (2020)

• Conceptual DFT as a Novel Chemoinformatics Tool for Studying the Chemical Reactivity Properties of the Amatoxin Family of Fungal Peptides

  Norma Flores-Holguín, Juan Frau and Daniel Glossman-Mitnik
  Open Chemistry, Vol.17. No.1. pp1133-1139 (2019)

• Computational Study of the Chemical Reactivity and Bioactivity Rates of Marine Peptides Hemiasterlin and its A and B Derivatives Used in the Cancer Treatment through Conceptual Density Functional Theory

  Norma Flores-Holguín, Juan Frau and Daniel Glossman-Mitnik
  Computational Molecular Bioscience, Vol.9. No.4. pp95-107 (2019)

• Chemical Reactivity Properties, Solubilities and Bioactivity Scores of Some Pigments Derived from Carotenoids of Marine Origin through Conceptual DFT Descriptors

  Norma Flores-Holguín, Juan Frau and Daniel Glossman-Mitnik
  Journal of Chemistry, Vol.2019. No.9624108. pp1-12 (2019)

• Chemical Reactivity Properties, Drug-Likeness and Bioactivity Scores of the Seragamides A-F Anticancer Marine Peptides: The Conceptual DFT Viewpoint

  Norma Flores-Holguín, Juan Frau and Daniel Glossman-Mitnik
  Computation, Vol.7. No.52. pp1-13 (2019)

• Calculation of the Global and Local Conceptual DFT Indices for the Prediction of the Chemical Reactivity Properties of the Papuamides A-F Marine Drugs

  Norma Flores-Holguín, Juan Frau and Daniel Glossman-Mitnik
  Molecules, Vol.24. No.8. pp3312 (2019)

• Tamoxifen-Loaded Nanodiamonds as a Potential Nanosystem for Drug Delivery to Breast Cancer Cells

  Loya-Rivera Mario, Garcia-Ruiz Sara C., Flores-Holguín, Norma, Orrantia-Borunda Erasmo, Chávez-Flores David, Luna-Velasco Antonia
  Nanoscience and Nanotechnology Letters, Vol.11. No.8. pp1131-1138 (2019)

• Chemical Reactivity and Bioactivity Properties of the Phallotoxin Family of Fungal Peptides based on Conceptual Peptidology and DFT Study

  Norma Flores-Holguín, Juan Frau and Daniel Glossman-Mitnik
  Heliyon, Vol.5. No.e02335. pp1-6 (2019)

• CDFT-based Reactivity Descriptors as a Useful MEDT Chemoinformatics Tool for the Study of the Virotoxin Family of Fungal Peptides

  Norma Flores-Holguín, Juan Frau and Daniel Glossman-Mitnik
  Molecules, Vol.24. No.2707. pp1-10 (2019)

• Computational Peptidology Assisted by Conceptual DFT for the Study of Five New Antifungal Tripeptides

  Norma Flores-Holguín, Juan Frau and Daniel Glossman-Mitnik
  ACS Omega, Vol.4. No.1. pp12555-12560 (2019)

• Conceptual DFT as a Chemoinformatics Tool for the Study of the Taltobulin Anticancer Peptide

  Norma Flores-Holguín, Juan Frau and Daniel Glossman-Mitnik
  BMC Research Notes, Vol.12. No.1. pp442 (2019)

• THEORETICAL ANALYSIS OF THE ARRANGEMENT IN ZINC-PORPHYRINS DERIVATIVES AND ITS EFFECT IN THE ELECTRONIC PROPERTIES.

  NORA-AYDEE SANCHEZ-BOJORGE, Gerardo Zaragoza-Galán, Norma R Flores-Holguín, Marco Antonio Chávez-Rojo, César Castro-García, Luz Rodriguez-Valdez
  Journal of Molecular Structure, Vol.1191. No.1. pp259-270 (2019)

• ANALYSIS OF THE INTERACTIONS BETWEEN CYTOCHROME P450 3A4 AND 1A2 WITH AFLATOXINS. A MOLECULAR DOCKING STUDY

  Isui Abril García Montoya, Norma Rosario Flores Holguín, Linda-Lucila Landeros-Martínez, Mónica Alvarado Gonzalez, Quintín Rascón Cruz, Pedro Palomares Báez y Luz Maria Rodriguez-Valdez
  Applied Sciences, Vol.9 . No.1. pp2467 (2019)

• Computational Prediction of Bioactivity Scores and Chemical Reactivity Properties of the Parasin I Therapeutic Peptide of Marine Origin through the Calculation of Global and Local Conceptual DFT Descriptors

  Norma Flores-Holguín, Juan Frau and Daniel Glossman-Mitnik
  Theoretical Chemistry Accounts, Vol.138. No.78. pp1-10 (2019)

• Theoretical and Experimental Study of Different Chemical Routes to Synthesize Crystalline Sodium Metasilicate from Silica-Rich Sand

  A. Tejeda-Ochoa, C. Carreño-Gallardo, J.E. Ledezma-Sillas, C. Prieto-Gomez, N.R. Flores-Holguin, F.C. Robles-Hernandez, J.M. Herrera-Ramirez
  Revista Mexicana de Ingeniería Química, Vol.18. No.2. pp581-588 (2019)

• Electron Injection in Anthocyanidin and Betalain Dyes for Dye-Sensitized Solar Cells: A DFT Approach

  Obasuyi Aanuoluwapo Raphael, Daniel Glossman-Mitnik and Norma Flores-Holguín
  Journal of Computational Electronics, Vol.18. No.1. pp396-406 (2019)

• A proposal based on quantum phenomena for the ORR mechanism on nitrogen-doped carbon-based electrocatalysts

  A Legarreta-Mendoza, N Flores-Holguín, D Lardizabal-Gutiérrez
  International Journal of Hydrogen Energy, Vol.44. No.24. pp12374/12380 (2019)

• Preparation, Spectroscopic Investigations and Chemical Reactivity Properties of New Schiff Base Ligand and its Copper(II) Complexes

  Shiva Prasad Kollur, Joaquín Ortega Castro, Juan Frau, Norma Flores-Holguín, Govindaraju Shruthi, Chandan Shivamallu, Daniel Glossman-Mitnik
  Journal of Molecular Structure, Vol.1191. No.1. pp17-23 (2019)

• A Comparison of Conceptual DFT and Molecular Electron Density Theory (MEDT) Descriptors of Local Chemical Reactivity Properties: Oxytocin and Vasopressin Peptide Hormones as Test Cases

  Norma Flores-Holguín, Juan Frau and Daniel Glossman-Mitnik
  MOJ Bioorganic & Organic chemistry, Vol.3. No.2. pp45-49 (2019)

• Chemical Reactivity Properties of Standard Aromatic Amino Acids Studied by Means of Conceptual Density Functional Theory

  Norma Flores-Holguín, Juan Frau and Daniel Glossman-Mitnik
  SOJ Biochemistry, Vol.4. No.1. pp1-10 (2019)

• Chemical Reactivity Theory and Empirical Bioactivity Scores as Computational Peptidology Alternative Tools for the Study of Two Anticancer Peptides of Marine Origin

  Juan Frau, Norma Flores-Holguín and Daniel Glossman-Mitnik
  Molecules, Vol.24. No.6. pp1115 (2019)

• Conceptual Density Functional Theory Study of the Chemical Reactivity Properties and Bioactivity Scores of the Leu-Enkephalin Opioid Peptide Neurotransmitter

  Juan Frau, Norma Flores-Holguín and Daniel Glossman-Mitnik
  Computational Molecular Bioscience, Vol.9. No.1. pp16-23 (2019)

• An Alternative Approach to Computational Peptidology Based on Conceptual DFT and Empirical Bioactivity Scores

  Norma Flores-Holguín, Juan Frau and Daniel Glossman-Mitnik
  Medicinal Chemistry, Vol.9. No.3. pp27-30 (2019)

Awards and Honors

• Second position in the contest " Prize for the most innovative and original project in sustainability” Global sustainability Institute, Monterrey Institute of Technology and Higher Education.
• Researcher Level 1 in National Research System of National Council of Science and Technology (CONACYT).
• Registered member as accredited reviewer by the National Council of Science and Technology (CONACYT).
• Award as Top Paper: Density functional theory (DFT) study of triphenylamine-based dyes for their use as sensitizers in molecular photovoltaics. IBioMedLib Journal Top 25 Hottest Articles reward to papers
  • THEOCHEM 905, Issue 1-3, (2009) 76-80 Elsevier Science
  • THEOCHEM 854 (2008) 81-88 Elsevier Science
• Winner of Marine Drugs Best Paper Award 2019 Chemical Reactivity Properties, pKa Values, AGEs Inhibitor Abilities and Bioactivity Scores of the Mirabamides A–H Peptides of Marine Origin Studied by Means of Conceptual DFT, Marine Drugs 2018, 16, 302; doi:10.3390/md16090302