Concepedia

Novel 4-quinoline-thiosemicarbazone derivatives: Synthesis, antiproliferative activity, in vitro and in silico biomacromolecule interaction studies and topoisomerase inhibition

Amélia Galdino Ribeiro, Sinara Mônica Vitalino de Almeida, Jamerson Ferreira de Oliveira, Túlio Ricardo Couto de Lima Souza, Keriolaine Lima dos Santos, Amanda Pinheiro de Barros Albuquerque, Mariane Cajubá de Britto Lira Nogueira, Luiz Bezerra de Carvalho, Ricardo Olímpio de Moura, Aline Caroline da Silva,

European Journal of Medicinal Chemistry · 2019 · 63 citations · 73 references

DOI

Concepts

References

73

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

Garrett M. Morris, Ruth Huey, William Lindstrom et al. · Journal of Computational Chemistry · 2009 · 25K citations · Full text

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SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

Antoine Daina, Olivier Michielin, Vincent Zoete · Scientific Reports · 2017 · 17.1K citations · Full text

, , +16

Molecular Properties That Influence the Oral Bioavailability of Drug Candidates

Daniel F. Veber, Stephen R. Johnson, Hung‐Yuan Cheng et al. · Journal of Medicinal Chemistry · 2002 · 8.1K citations

, , +15

pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures

Douglas E. V. Pires, Tom L. Blundell, David B. Ascher · Journal of Medicinal Chemistry · 2015 · 5.4K citations · Full text

, , +17

Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements

James J. P. Stewart · Journal of Molecular Modeling · 2007 · 3.7K citations · Full text

, , +9