TY - JOUR
T1 - Urease inhibition and anti-leishmanial properties of Zn(II) complexes of thiophenyl and furyl-derived C2-symmetric ligands
AU - Nayab, Saira
AU - Khan, Momin
AU - Cho, Yerim
AU - Lee, Hyosun
N1 - Publisher Copyright:
© 2022 Informa UK Limited, trading as Taylor & Francis Group.
PY - 2022
Y1 - 2022
N2 - A series of Zn(II) complexes (1-4) supported by thiophenyl- and furyl-derived N,N-diamines ligands, L1-L4, where L1 = 2,2-dimethyl-N1,N3-bis(thiophen-2-ylmethyl)propane-1,3-diamine, L2 = N1,N3-bis(thiophen-2-ylmethyl)propane-1,3-diamine, L3 = N1,N 3-bis(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine, and L4 = N 1,N 3-bis(furan-2-ylmethyl)propane-1,3-diamine, were synthesized and characterized. Structural studies of 2 and 4 revealed a distorted tetrahedral geometry around the Zn(II) center. The synthesized ligands and their corresponding Zn(II) complexes were tested in vitro for urease inhibitory potential against Jack bean urease (JB urease) and Bacillus pasteurii urease (BP urease). Complex 2, possessing a thiophenyl pendant moiety, exhibited considerable inhibitory potential against JB urease (IC50 = 5.5 ± 0.15 μM) and BP urease (IC50 = 6.0 ± 0.12 μM) relative to the standard thiourea (IC50 = 10 ± 0.52 and 8.20 ± 0.90 μM, respectively). Additionally, molecular docking confirmed the probable binding modes of the active complexes in the crystal structure of the JB urease. The synthesized ligands and complexes were also screened for anti-leishmanial activity and were proven to be effective against the Leishmania parasite.
AB - A series of Zn(II) complexes (1-4) supported by thiophenyl- and furyl-derived N,N-diamines ligands, L1-L4, where L1 = 2,2-dimethyl-N1,N3-bis(thiophen-2-ylmethyl)propane-1,3-diamine, L2 = N1,N3-bis(thiophen-2-ylmethyl)propane-1,3-diamine, L3 = N1,N 3-bis(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine, and L4 = N 1,N 3-bis(furan-2-ylmethyl)propane-1,3-diamine, were synthesized and characterized. Structural studies of 2 and 4 revealed a distorted tetrahedral geometry around the Zn(II) center. The synthesized ligands and their corresponding Zn(II) complexes were tested in vitro for urease inhibitory potential against Jack bean urease (JB urease) and Bacillus pasteurii urease (BP urease). Complex 2, possessing a thiophenyl pendant moiety, exhibited considerable inhibitory potential against JB urease (IC50 = 5.5 ± 0.15 μM) and BP urease (IC50 = 6.0 ± 0.12 μM) relative to the standard thiourea (IC50 = 10 ± 0.52 and 8.20 ± 0.90 μM, respectively). Additionally, molecular docking confirmed the probable binding modes of the active complexes in the crystal structure of the JB urease. The synthesized ligands and complexes were also screened for anti-leishmanial activity and were proven to be effective against the Leishmania parasite.
KW - anti-leishmanial properties
KW - molecular docking
KW - tetrahedral geometry
KW - urease inhibition
KW - Zn(II) complexes
UR - http://www.scopus.com/inward/record.url?scp=85142132218&partnerID=8YFLogxK
U2 - 10.1080/00958972.2022.2143269
DO - 10.1080/00958972.2022.2143269
M3 - Article
AN - SCOPUS:85142132218
SN - 0095-8972
VL - 75
SP - 2978
EP - 2999
JO - Journal of Coordination Chemistry
JF - Journal of Coordination Chemistry
IS - 19-24
ER -