Structural characterization and biological activity evaluation of Magnoflorine alkaloid, a potential anticonvulsant agent (Record no. 55456)
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| 000 -LEADER | |
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| fixed length control field | 02582nam a2200265Ia 4500 |
| 003 - CONTROL NUMBER IDENTIFIER | |
| control field | MX-MdCICY |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20250625164354.0 |
| 040 ## - CATALOGING SOURCE | |
| Transcribing agency | CICY |
| 090 ## - LOCALLY ASSIGNED LC-TYPE CALL NUMBER (OCLC); LOCAL CALL NUMBER (RLIN) | |
| Classification number (OCLC) (R) ; Classification number, CALL (RLIN) (NR) | B-21396 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 250602s9999 xx |||||s2 |||| ||und|d |
| 245 10 - TITLE STATEMENT | |
| Title | Structural characterization and biological activity evaluation of Magnoflorine alkaloid, a potential anticonvulsant agent |
| 490 0# - SERIES STATEMENT | |
| Series statement | Journal of Molecular Structure. 1317, 139036, 2024, DOI: 10.1016/j.molstruc.2024.139036 |
| 520 3# - SUMMARY, ETC. | |
| Summary, etc. | Magnoflorine (MGF), an isoquinoline alkaloid, emerges as a quaternary aporphine alkaloid derived from L-tyrosine amino acid, found in families Magnoliaceae plants and it presents important biological activity being noted for its effect on the nervous system. In this work, a deep study of structural, vibrational and electronic properties has been carried out for the MGF. From Potential Energy Surface (PES) scan the most stable conformer of alkaloid was identified and geometrical parameters were determined by Density Functional Theory (DFT) using B3LYP/6-311++G** method. A complete vibrational assignment of the normal modes was theoretical and experimentally achieved from FT-IR and Raman spectroscopies and scaled SQM methodology. Electronic transitions observed in UV-visible spectrum in aqueous medium were identified using TD-DFT methodology, with the ???* transition being the most probable UV signal. The MEPs, the electric charge distribution along with the HOMO and LUMO frontier orbitals were analyzed and the GAP energy values justified the stability of the molecule in aqueous medium. The molecular electrostatic potential map reveals the most favourable region for electrophilic attack on MGF. Molecular docking was used to analyze the anxiolytic biological activity of the title molecule on the GABAA receptor. The results suggest an intermolecular binding capability of MFG toward both intracellular and extracellular domains of GABAA receptor, and the extracellular domain presents a higher affinity by alkaloid. Finally, the biological study infers that MGF could be used as a potential anxiolytic compound. © 2024 |
| 650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | ALKALOIDS |
| 650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | DFT CALCULATIONS |
| 650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | DOCKING MOLECULAR |
| 650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | GABA RECEPTOR |
| 650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | MAGNOFLORINE |
| 650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | VIBRATIONAL SPECTROSCOPY |
| 700 12 - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Álvarez Escalada F.C. |
| 700 12 - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Romano E. |
| 700 12 - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Ledesma A.E. |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | <a href="https://drive.google.com/file/d/1SStdgkwW_h3FwFW97gOaQYG5WXQ5NNVm/view?usp=drive_link">https://drive.google.com/file/d/1SStdgkwW_h3FwFW97gOaQYG5WXQ5NNVm/view?usp=drive_link</a> |
| Public note | Para ver el documento ingresa a Google con tu cuenta @cicy.edu.mx |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Source of classification or shelving scheme | Clasificación local |
| Koha item type | Documentos solicitados |
| Lost status | Source of classification or shelving scheme | Damaged status | Not for loan | Collection | Home library | Current library | Shelving location | Date acquired | Total checkouts | Full call number | Date last seen | Price effective from | Koha item type |
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| Clasificación local | Ref1 | CICY | CICY | Documento préstamo interbibliotecario | 25.06.2025 | B-21396 | 25.06.2025 | 25.06.2025 | Documentos solicitados |