Bioactive Heteroleptic Bismuth(V) Complexes: Synthesis, Structural Analysis and Binding Pattern Validation

Abstract

Heteroleptic triorganobismuth (V) complexes of general formula, R3Bi(OOCR')2 (1–7), where R = C6H5 (1–3), p‐CH3C6H4 (4–7) and R' = 3,5‐Cl2C6H3 (1, 5); 3,4,5‐(OCH3)3C6H2 (2, 6); 3‐CH3C6H4 (3,7); 2‐OH‐3‐OCH3C6H3 (4) have been synthesized and fully characterized by FT‐IR, 1H &13C NMR spectroscopy, single crystal X‐ray crystallography and elemental analysis. The molecular geometry observed for the compounds is predominantly distorted trigonal bipyramidal, the fact which was subsequently authenticated through X‐ray analyses for (1–4). All the synthesized compounds have been bio‐assayed for antileishmanial (Leishmania tropica KWH23) and Jack beans urease inhibitory activity, and human Lymphocytes were used to measure the general toxicity. Of these, (4) proved to be highly effective against the target species (Leishmania tropica KWH23), while being non‐toxic towards the mammalian cells at levels below 0.74 μgmL−1, making it highly promising drug candidate. The high activities for (2, 4, and 6) against Jack beans Urease as compared to the reference standard demonstrate their significance in searching of therapeutic agents in future programs. The significant binding score of (2&4) against H. pylori in molecular docking studies further revealed their importance in future drug discovery processes.

Aryl bismuth phosphinates [BiAr2(O(O)PRR′)]: structure–activity relationships for antibacterial activity and cytotoxicity

“…Structure–activity relationships in medicinal chemistry are determined through making small structural changes to molecules and examining the effect on biological performance. There have been numerous studies reporting on the structure–activity relationships of organometallic complexes, 1–17 with the findings suggesting that biological activity is impacted synergistically by the nature of the metal, the form and nature of the ligands, and the overall composition of the complex itself. Within each ligand class substitution patterns and isomeric forms can also play an important role.…”