Title : Phthalocyanine complexes with (4-isopropylbenzyl)oxy substituents: preparation and evaluation of anti-carbonic anhydrase, anticholinesterase enzymes and molecular docking studies - Guzel_2020_J.Biomol.Struct.Dyn__1 |
Author(s) : Guzel E , Kocyigit U M , Taslimi P , Gulcin I , Erkan S , Nebioglu M , Arslan BS , Sisman I |
Ref : J Biomol Struct Dyn , :1 , 2020 |
Abstract :
In this study, the preparation, aggregation behavior and investigation of carbonic anhydrase and cholinesterase enzyme inhibition features of non-peripherally (4-isopropylbenzyl)oxy-substituted phthalocyanines (4-6) are reported for the first time. The chemical structures of these new phthalocyanines were elucidated by UV-Vis (ultraviolet-visible), FT-IR (Fourier transform infrared spectrometry), NMR (nuclear magnetic resonance) and MALDI-TOF (matrix-assisted laser desorption/ionization time-of-flight) mass spectrometry. The substitution of 4-isopropylbenzyl)oxy groups benefits a remarkable solubility and redshift of the phthalocyanines Q-band. Also, these complexes were tested against some enzymes such as butyrylcholinesterase enzyme, human carbonic anhydrase I and II isoforms and acetylcholinesterase enzyme. The phthalocyanine complexes showed Ki values of in the range of 478.13 +/- 57.25-887.25 +/- 101.20 muM against hCA I, 525.16 +/- 45.87-921.14 +/- 81.25 muM against hCA II, 68.33 +/- 9.13-201.15 +/- 35.86 muM against AChE and 86.25 +/- 13.65-237.54 +/- 24.7 muM against BChE. Molecular docking studies were performed to investigate the binding modes and interaction energies of the (2-6) complexes with the hCA I (PDB ID:1BMZ), hCA II (PDB ID:2ABE), AChE (PDB ID:4EY6) and BChE (PDB ID:2PM8). |
PubMedSearch : Guzel_2020_J.Biomol.Struct.Dyn__1 |
PubMedID: 32954954 |
Guzel E, Kocyigit U M, Taslimi P, Gulcin I, Erkan S, Nebioglu M, Arslan BS, Sisman I (2020)
Phthalocyanine complexes with (4-isopropylbenzyl)oxy substituents: preparation and evaluation of anti-carbonic anhydrase, anticholinesterase enzymes and molecular docking studies
J Biomol Struct Dyn
:1
Guzel E, Kocyigit U M, Taslimi P, Gulcin I, Erkan S, Nebioglu M, Arslan BS, Sisman I (2020)
J Biomol Struct Dyn
:1