A QUANTUM-CHEMICAL DESCRIPTORS OF CARBONIC ANHYDRASE CA(I) INHIBITION BY AROMATIC SULFONYL AMIDES
2020 ◽
Vol 2
(29(56))
◽
pp. 27-30
Keyword(s):
The quantum parameters of aromatic sulfonylamides are determined to describe their interaction with carbonic anhydrase at the theory level M06/6-311 ++G**(SMD). The molecular electrostatic potential on the nitrogen atom in sulfamides and Hirschfeld charge on this atom have been found to appear to be adequate and determinative descriptors of carbonic anhydrase inhibition.
1995 ◽
Vol 338
(1-3)
◽
pp. 293-301
◽
2021 ◽
Vol 210
◽
pp. 104266
◽
1985 ◽
Vol 34
(3)
◽
pp. 571-575
2006 ◽
Vol 691
(13)
◽
pp. 2978-2986
◽
2018 ◽
Vol 52
(10)
◽
pp. 1118-1131
◽
2001 ◽
Vol 80
(1-2)
◽
pp. 41-51
◽