PMID- 31240229
OWN - NLM
STAT- MEDLINE
DCOM- 20191216
LR  - 20200225
IS  - 2314-6141 (Electronic)
IS  - 2314-6133 (Print)
VI  - 2019
DP  - 2019
TI  - In Silico and In Vitro Analysis of the 
      4,4',4''-((1,3,5-Triazine-2,4,6-triyl)tris(azanediyl))triphenol), an Antioxidant 
      Agent with a Possible Anti-Inflammatory Function.
PG  - 9165648
LID - 10.1155/2019/9165648 [doi]
LID - 9165648
AB  - Inflammation is a consequence of an array of biological reactions that occur in 
      response to pain sensation, local injury, and cell damage. A large number of 
      studies have demonstrated that quercetin and other flavonoids show 
      anti-inflammatory effects; thus, in the present work, we evaluated a 
      triazine-phenol derivative (TP derivative) compound as a possible drug candidate 
      with anti-inflammatory activity. This compound was studied as a possible 
      anti-inflammatory drug using synthesis and characterization by Fourier transform 
      infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), and mass 
      spectrometry (MS). The derivative of melamine was evaluated for its antioxidant 
      activity and exhibited good DPPH and FRAP antioxidant activity. Additionally, we 
      evaluated the putative effect of the molecule on the COX-2 enzyme through 
      molecular dynamic simulation (MDS), and the result suggested that the TP 
      derivative is a potential anti-inflammatory agent that can interact with the 
      COX-2 enzyme because of the high number of protein-ligand interactions observed 
      with MDS. Finally, the study of theoretical physicochemical properties, the 
      observation of low toxicity (hemolysis assay), and the evaluation of oral 
      bioavailability of the TP derivative showed that it is a possible 
      anti-inflammatory drug candidate.
FAU - Castro, Ricardo I
AU  - Castro RI
AUID- ORCID: 0000-0002-8054-1469
AD  - Multidisciplinary Agroindustry Research Laboratory, Instituto de Ciencias 
      Quimicas Aplicadas, Universidad Autonoma de Chile, Talca, Chile.
FAU - Valenzuela-Riffo, Felipe
AU  - Valenzuela-Riffo F
AD  - Instituto de Ciencias Biologicas, Universidad de Talca, Talca, Chile.
FAU - Morales-Quintana, Luis
AU  - Morales-Quintana L
AUID- ORCID: 0000-0002-7194-1989
AD  - Multidisciplinary Agroindustry Research Laboratory, Instituto de Ciencias 
      Biomedicas, Facultad de Ingenieria, Universidad Autonoma de Chile, Talca, Chile.
LA  - eng
PT  - Journal Article
DEP - 20190522
PL  - United States
TA  - Biomed Res Int
JT  - BioMed research international
JID - 101600173
RN  - 0 (Anti-Inflammatory Agents)
RN  - 0 (Antioxidants)
RN  - 0 (Biphenyl Compounds)
RN  - 0 (Flavonoids)
RN  - 0 (Ligands)
RN  - 0 (Picrates)
RN  - 0 (Triazines)
RN  - 339NCG44TV (Phenol)
RN  - 9IKM0I5T1E (Quercetin)
RN  - DFD3H4VGDH (1,1-diphenyl-2-picrylhydrazyl)
RN  - EC 1.14.99.1 (Cyclooxygenase 2)
RN  - N3GP2YSD88 (melamine)
SB  - IM
MH  - Anti-Inflammatory Agents/*pharmacology
MH  - Antioxidants/*analysis/*chemistry
MH  - Biphenyl Compounds
MH  - Computer Simulation
MH  - Cyclooxygenase 2/chemistry
MH  - Erythrocytes
MH  - Flavonoids/pharmacology
MH  - Hemolysis
MH  - In Vitro Techniques
MH  - Inflammation
MH  - Ligands
MH  - Molecular Docking Simulation
MH  - Phenol/pharmacology
MH  - Picrates
MH  - Quercetin/pharmacology
MH  - Triazines/*analysis/*chemistry
PMC - PMC6556288
EDAT- 2019/06/27 06:00
MHDA- 2019/12/18 06:00
PMCR- 2019/05/22
CRDT- 2019/06/27 06:00
PHST- 2019/01/05 00:00 [received]
PHST- 2019/04/01 00:00 [revised]
PHST- 2019/04/28 00:00 [accepted]
PHST- 2019/06/27 06:00 [entrez]
PHST- 2019/06/27 06:00 [pubmed]
PHST- 2019/12/18 06:00 [medline]
PHST- 2019/05/22 00:00 [pmc-release]
AID - 10.1155/2019/9165648 [doi]
PST - epublish
SO  - Biomed Res Int. 2019 May 22;2019:9165648. doi: 10.1155/2019/9165648. eCollection 
      2019.