Complete chemical shift assignment and molecular modeling studies of two chromene derivatives as potential leads for new anticancer drugs

Author:

Rubim de Santana Priscila Ivo1ORCID,Ferreira Neto Denise Cristian1ORCID,Goncalves Arlan da Silva23ORCID,Almeida Joyce Sobreiro Francisco Diz de2ORCID,França Tanos Celmar Costa23ORCID,Figueroa-Villar José Daniel1ORCID

Affiliation:

1. Medicinal Chemistry Group, Chemical Engineering Department, Military Institute of Engineering, Rio de Janeiro, Brazil

2. Laboratory of Molecular Modeling Applied to the Chemical and Biological Defense (LMCBD), Military Institute of Engineering, Rio de Janeiro, Brazil

3. Department of Chemistry, Faculty of Science, University of Hradec Kralove, Hradec Kralove, Czech Republic

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Reference48 articles.

1. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

2. Anon. (2020a). Stewart computational chemistry - MOPAC home page. Retrieved February 17, 2020, from http://openmopac.net/.

3. Anon. (2020b). (No title). Retrieved February 17, 2020, from https://cec.mpg.de/fileadmin/media/Forschung/ORCA/orca_manual_4_0_1.pdf.

4. Trichloroisocyanuric Acid (TCCA)

5. Assignment of carbon-13 NMR spectra via double-quantum coherence

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