Concepedia

Synthesis, biological evaluation, substitution behaviour and DFT study of Pd(<scp>ii</scp>) complexes incorporating benzimidazole derivative

Ishani Mitra, Subhajit Mukherjee, Venkata P. Reddy B., Bashkim Misini, Payel Das, Subrata Dasgupta, Wolfgang Linert, Sankar Ch. Moi

New Journal of Chemistry · 2018 · 38 citations · 63 references

DOI

Concepts

Abstract

Pd(<sc>ii</sc>) complexes with good DNA/BSA binding ability exhibit cytotoxicity comparable to cisplatin on different cancer cells along with reduced toxicity towards normal cells.

References

63

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Oleg Trott, Arthur J. Olson · Journal of Computational Chemistry · 2009 · 37.1K citations · Full text

, , +17

Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules

Warren J. Hehre, R. Ditchfield, John A. Pople · The Journal of Chemical Physics · 1972 · 15.8K citations

, , +16

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 15.5K citations

, , +15