Research output: Contribution to journal › Review article › peer-review
Photopharmacological compounds based on azobenzenes and azoheteroarenes : principles of molecular design, molecular modelling, and synthesis. / Ryazantsev, Mikhail N.; Strashkov, Daniil M.; Nikolaev, Dmitrii M.; Shtyrov, Andrey A.; Panov, Maxim S.
In: Russian Chemical Reviews, Vol. 90, No. 7, 08.2021, p. 868-893.Research output: Contribution to journal › Review article › peer-review
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TY - JOUR
T1 - Photopharmacological compounds based on azobenzenes and azoheteroarenes
T2 - principles of molecular design, molecular modelling, and synthesis
AU - Ryazantsev, Mikhail N.
AU - Strashkov, Daniil M.
AU - Nikolaev, Dmitrii M.
AU - Shtyrov, Andrey A.
AU - Panov, Maxim S.
N1 - Publisher Copyright: © 2021 Uspekhi Khimii, ZIOC RAS, Russian Academy of Sciences and IOP Publishing Limited
PY - 2021/8
Y1 - 2021/8
N2 - Photopharmacology is a field of medicine and pharmacology that uses light to selectively activate or deactivate pharmaceutical agents. This approach significantly enhances and localizes the drug action and, therefore, reduces its side effects. Apart from the bioactive moiety, any photopharmacological compound should contain a photoactive group that must absorb light at the desired wavelength and reorganize the molecular structure after photoactivation. The design of an effective photopharmacological compound requires careful tuning of physical, chemical, and biological properties. The present review summarizes and analyzes the main approaches to the molecular design of photopharmacological drugs based on azobenzene or azoheteroarenes. The main ideas and methods used for tuning spectral and photochemical properties of compounds of this class are discussed. A comparative analysis of main computational methods for their in silico screening is carried out; the most common approaches to the synthesis of azobenzenes and azoheteroarenes derivatives are systematized. Special attention is given to the methods and approaches that are specific to the molecular design of photopharmacological compounds with required physicochemical and photochemical properties.
AB - Photopharmacology is a field of medicine and pharmacology that uses light to selectively activate or deactivate pharmaceutical agents. This approach significantly enhances and localizes the drug action and, therefore, reduces its side effects. Apart from the bioactive moiety, any photopharmacological compound should contain a photoactive group that must absorb light at the desired wavelength and reorganize the molecular structure after photoactivation. The design of an effective photopharmacological compound requires careful tuning of physical, chemical, and biological properties. The present review summarizes and analyzes the main approaches to the molecular design of photopharmacological drugs based on azobenzene or azoheteroarenes. The main ideas and methods used for tuning spectral and photochemical properties of compounds of this class are discussed. A comparative analysis of main computational methods for their in silico screening is carried out; the most common approaches to the synthesis of azobenzenes and azoheteroarenes derivatives are systematized. Special attention is given to the methods and approaches that are specific to the molecular design of photopharmacological compounds with required physicochemical and photochemical properties.
KW - FREE-ENERGY CALCULATIONS
KW - ENVIRONMENTALLY FRIENDLY APPROACH
KW - CIS-TRANS ISOMERIZATION
KW - AZO DYES
KW - OPTICAL CONTROL
KW - FORCE-FIELD
KW - THERMAL-ISOMERIZATION
KW - MEDICINAL CHEMISTRY
KW - ELECTRONIC-SPECTRA
KW - AROMATIC-AMINES
UR - http://www.scopus.com/inward/record.url?scp=85112605347&partnerID=8YFLogxK
UR - https://www.mendeley.com/catalogue/7b55b920-dd1f-3dc4-b5ae-8b0b6fc38e9b/
U2 - 10.1070/rcr5001
DO - 10.1070/rcr5001
M3 - Review article
AN - SCOPUS:85112605347
VL - 90
SP - 868
EP - 893
JO - Russian Chemical Reviews
JF - Russian Chemical Reviews
SN - 0036-021X
IS - 7
ER -
ID: 85610434