Synthesis, characterization, exploration of anti-cancer, anti-leishmanial, anti-microbial activities, pharmacokinetic and docking studies of Sn(IV) complexes.

[Display omitted] • Synthesis of potentially bioactive triorganotin(IV) carboxylates. • Spectroscopic characterization. • In vitro anti-microbial, anti-cancer and anti-leishmanial activities. • Pharmacokinetic and Molecular docking studies. Six new triorganotin(IV) derivatives: [(C 6 H 5) 3 Sn(C 11 H 11 N 2 O 6)] (1), [(C 6 H 11) 3 Sn(C 11 H 11 N 2 O 6)] (2), [(C 7 H 7) 3 Sn(C 11 H 11 N 2 O 6)] (3), [(CH 3) 3 Sn(C 11 H 11 N 2 O 6)(C 10 H 8 N 2)] (4), [(CH 3) 3 Sn(C 11 H 11 N 2 O 6)(C 12 H 8 N 2)] (5), [(CH 3) 3 Sn(C 11 H 11 N 2 O 6)(C 14 H 12 N 4)] (6) were designed and prepared by the reaction of sodium 3‐[(4‐methoxy‐2‐nitrophenyl)carbamoyl]propanoic acid with the corresponding triorganotin(IV) chlorides. Their synthesis was confirmed by 1H, 13C and 119Sn-NMR, percentage elemental constituents, FT-IR, and ESI-mass spectrometric techniques. The OH stretching vibration of the carboxylic moiety in the spectrum of the free acid was absent in that of the sodium salt (NaL) of the acid which proves its formation. Moreover, the appearance of Sn-C and Sn-O stretching vibrations in the spectra of complexes conform their formation. The antimicrobial activity of the investigated compounds explored good antimicrobial activity in comparison to the reference drugs. The tested compounds were also treated against H-157 and BHK-21 cancerous cell lines and possess good anticancer potential in comparison to the vincristine drug used as standard. So based on the activity results it is concluded that the synthesized complexes after positive in vivo and other clinical studies may be used for cancer treatment. The tested compounds exhibit good anti-leishmanial activity. The results of molecular docking performed against cancer death receptor BRCA2 (PDB# 1NOW) and Leishmania major Pteridine reductase 1 (PTR1) of Escherichia coli BL21 (PDB # 5L42) also verify the in vitro experimental results. Pharmacokinetic properties of the tested compounds such as drug-likeness, bioavailability score etc. were determined and most of them follow the Lipinski's rule of 5. [ABSTRACT FROM AUTHOR]