In silico study of the toxicity of hyperforin and its metabolites

Article title

Abstract

Keywords

Introduction

Materials and methods

Molinspiration cheminformatics, SwissADME, and PreADME/Tox software

Quantitative structure-activity relationship toolbox

Results and discussion

Molecular properties and pharmacokinetic profile of Hyp

Drug-likeness and bioactivity

Quantitative structure-activity relationship

In vivo rat metabolism simulator

DNA and protein binding

Toxic hazard classification by Cramer

Carcinogenicity and mutagenicity

Rat liver S9 metabolism

DNA and protein binding

Toxic hazard classification by Cramer

Carcinogenicity and mutagenicity

Conclusion

Acknowledgment

References

Appendix 1

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