In Vitro and In Silico Assessment of Antileishmanial Potential of Novel Tri‐ and Penta‐Valent Antimony Complexes With Phenolic Ligands DOI
Syeda Aaliya Shehzadi, Faiz Ahmed, Arshad Islam

et al.

Drug Development Research, Journal Year: 2025, Volume and Issue: 86(1)

Published: Feb. 1, 2025

ABSTRACT Leishmaniasis, caused by protozoan parasites of the genus Leishmania , affects nearly 12 million people annually worldwide, and has limited, highly toxic therapeutic options. This study reports synthesis, in vitro silico evaluations four novel antimony complexes ( 3a‐3d ) as potent safe antileishmanial agents. The were synthesized using Sb‐salts with different phenolic ligands characterized elemental analysis, FT‐IR NMR spectroscopic techniques. Structural parameters further evaluated via DFT studies. activity these was assessed against promastigote axenic amastigote forms tropica showing promising potential Complex 3a 3c particularly active, IC 50 values 10.8 ± 2.1 11.0 2.0 μmol/L promastigotes, 20.14 6.11 27.72 0.13 amastigotes, respectively. Molecular docking analysis receptor protein (PDB ID: 8FI6) from revealed high binding conformations molecules within active cavity target protein. With lowest Ki value 1.25 a pattern hydrophobic π‐interactions strong conventional hydrogen bonds, complex 3d demonstrated excellent affinities pocket. Notably, exhibited low cytotoxicity, compared to standard drugs, TA (potassium antimonyl tartrate) AmB (Amphotericin B), hemolysis rates < 12% for all complexes. Our findings suggest that are candidates development new, safer therapies, combining L. significantly lower cytotoxicity existing treatments.

Language: Английский

In Vitro and In Silico Assessment of Antileishmanial Potential of Novel Tri‐ and Penta‐Valent Antimony Complexes With Phenolic Ligands DOI
Syeda Aaliya Shehzadi, Faiz Ahmed, Arshad Islam

et al.

Drug Development Research, Journal Year: 2025, Volume and Issue: 86(1)

Published: Feb. 1, 2025

ABSTRACT Leishmaniasis, caused by protozoan parasites of the genus Leishmania , affects nearly 12 million people annually worldwide, and has limited, highly toxic therapeutic options. This study reports synthesis, in vitro silico evaluations four novel antimony complexes ( 3a‐3d ) as potent safe antileishmanial agents. The were synthesized using Sb‐salts with different phenolic ligands characterized elemental analysis, FT‐IR NMR spectroscopic techniques. Structural parameters further evaluated via DFT studies. activity these was assessed against promastigote axenic amastigote forms tropica showing promising potential Complex 3a 3c particularly active, IC 50 values 10.8 ± 2.1 11.0 2.0 μmol/L promastigotes, 20.14 6.11 27.72 0.13 amastigotes, respectively. Molecular docking analysis receptor protein (PDB ID: 8FI6) from revealed high binding conformations molecules within active cavity target protein. With lowest Ki value 1.25 a pattern hydrophobic π‐interactions strong conventional hydrogen bonds, complex 3d demonstrated excellent affinities pocket. Notably, exhibited low cytotoxicity, compared to standard drugs, TA (potassium antimonyl tartrate) AmB (Amphotericin B), hemolysis rates < 12% for all complexes. Our findings suggest that are candidates development new, safer therapies, combining L. significantly lower cytotoxicity existing treatments.

Language: Английский

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