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Frau, J., Flores-Holgun, N. and Glossman-Mitnik, D. (2019) Chemical Reactivity Theory and Empirical Bioactivity Scores as Computational Peptidology Alternative Tools for the Study of Two Anticancer Peptides of Marine Origin. Molecules, 24, Article No. 1115.
https://doi.org/10.3390/molecules24061115

has been cited by the following article:

• TITLE: Computational Chemistry and Molecular Modeling Techniques for the Study of Micropeptin EI-964: Insights into Its Chemical Reactivity and Potential Pharmaceutical Properties

  AUTHORS: Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik

  KEYWORDS: Micropeptin EI-964, Chemical Reactivity, Conceptual DFT, Computational Pharmacokinetics, Pharmaceutical Drugs

  JOURNAL NAME: Computational Molecular Bioscience, Vol.13 No.3, September 13, 2023

  ABSTRACT: Micropeptin EI-964 is a cyclic peptide compound isolated from a marine cyanobacterium with potent inhibitory activity against serine proteases, particularly chymotrypsin and trypsin. It has shown promising activity against various cancer cell lines, making it a candidate for drug development. The unique structure and activity of Micropeptin EI-964 make it a promising lead compound for the development of novel serine protease inhibitors and anti-cancer drugs. Computational Chemistry and Molecular Modeling techniques can provide valuable insights into the chemical reactivity and pharmaceutical properties of Micropeptin EI-964, guiding the design and development of new compounds with enhanced bioactivity and improved drug-like properties.