-
Something wrong with this record ?
Medicinal Chemistry Meets Electrochemistry: Redox Potential in the Role of Endpoint or Molecular Descriptor in QSAR/QSPR
K. Nesměrák
Language English Country Netherlands
Document type Journal Article, Review
- MeSH
- Anti-Bacterial Agents chemistry MeSH
- Antioxidants chemistry MeSH
- Antiprotozoal Agents chemistry MeSH
- Antiviral Agents chemistry MeSH
- Chemistry, Pharmaceutical * MeSH
- Quantitative Structure-Activity Relationship * MeSH
- Oxidation-Reduction MeSH
- Antineoplastic Agents chemistry MeSH
- Electron Transport MeSH
- Publication type
- Journal Article MeSH
- Review MeSH
Many biochemical reactions are based on redox reactions. Therefore, the redox potential of a chemical compound may be related to its therapeutic or physiological effects. The study of redox properties of compounds is a domain of electrochemistry. The subject of this review is the relationship between electrochemistry and medicinal chemistry, with a focus on quantifying these relationships. A summary of the relevant achievements in the correlation between redox potential and structure, therapeutic activity, resp., is presented. The first part of the review examines the applicability of QSPR for the prediction of redox properties of medically important compounds. The second part brings the exhaustive review of publications using redox potential as a molecular descriptor in QSAR of biological activity. Despite the complexity of medicinal chemistry and biological reactions, it is possible to employ redox potential in QSAR/QSPR. In many cases, this electrochemical parameter plays an essential but rarely absolute role.
References provided by Crossref.org
- 000
- 00000naa a2200000 a 4500
- 001
- bmc21026784
- 003
- CZ-PrNML
- 005
- 20211026132624.0
- 007
- ta
- 008
- 211013s2020 ne f 000 0|eng||
- 009
- AR
- 024 7_
- $a 10.2174/1389557520666200204121806 $2 doi
- 035 __
- $a (PubMed)32013846
- 040 __
- $a ABA008 $b cze $d ABA008 $e AACR2
- 041 0_
- $a eng
- 044 __
- $a ne
- 100 1_
- $a Nesměrák, Karel $u Department of Analytical Chemistry, Faculty of Science, Charles University, Prague, Czech Republic
- 245 10
- $a Medicinal Chemistry Meets Electrochemistry: Redox Potential in the Role of Endpoint or Molecular Descriptor in QSAR/QSPR / $c K. Nesměrák
- 520 9_
- $a Many biochemical reactions are based on redox reactions. Therefore, the redox potential of a chemical compound may be related to its therapeutic or physiological effects. The study of redox properties of compounds is a domain of electrochemistry. The subject of this review is the relationship between electrochemistry and medicinal chemistry, with a focus on quantifying these relationships. A summary of the relevant achievements in the correlation between redox potential and structure, therapeutic activity, resp., is presented. The first part of the review examines the applicability of QSPR for the prediction of redox properties of medically important compounds. The second part brings the exhaustive review of publications using redox potential as a molecular descriptor in QSAR of biological activity. Despite the complexity of medicinal chemistry and biological reactions, it is possible to employ redox potential in QSAR/QSPR. In many cases, this electrochemical parameter plays an essential but rarely absolute role.
- 650 _2
- $a antibakteriální látky $x chemie $7 D000900
- 650 _2
- $a protinádorové látky $x chemie $7 D000970
- 650 _2
- $a antioxidancia $x chemie $7 D000975
- 650 _2
- $a antiprotozoální látky $x chemie $7 D000981
- 650 _2
- $a antivirové látky $x chemie $7 D000998
- 650 12
- $a farmaceutická chemie $7 D002626
- 650 _2
- $a transport elektronů $7 D004579
- 650 _2
- $a oxidace-redukce $7 D010084
- 650 12
- $a kvantitativní vztahy mezi strukturou a aktivitou $7 D021281
- 655 _2
- $a časopisecké články $7 D016428
- 655 _2
- $a přehledy $7 D016454
- 773 0_
- $w MED00008043 $t Mini reviews in medicinal chemistry $x 1875-5607 $g Roč. 20, č. 14 (2020), s. 1341-1356
- 856 41
- $u https://pubmed.ncbi.nlm.nih.gov/32013846 $y Pubmed
- 910 __
- $a ABA008 $b sig $c sign $y p $z 0
- 990 __
- $a 20211013 $b ABA008
- 991 __
- $a 20211026132631 $b ABA008
- 999 __
- $a ok $b bmc $g 1715511 $s 1147291
- BAS __
- $a 3
- BAS __
- $a PreBMC
- BMC __
- $a 2020 $b 20 $c 14 $d 1341-1356 $e - $i 1875-5607 $m Mini-reviews in medicinal chemistry $n Mini Rev Med Chem $x MED00008043
- LZP __
- $a Pubmed-20211013
