Authors: R.D. Snyder, D. Ewing, L.B. Hendry
Manufacturer: Copyright (c) 2006 Elsevier B.V.
We have previously noted that the
Physicians' Desk Reference (PDR) contains over 80 instances in which a drug elicited a positive genotoxic response in one or more
in vitro assays, despite having no obvious structural features predictive of covalent drug/DNA interactive potential or known mechanistic basis. Furthermore, in most cases, these drugs were ''missed'' by computational genotoxicity-predicting models such as DEREK, MCASE and TOPKAT. We have previously reported the application of a V79 cell-based model and a 3D DNA docking model for predicting non-covalent chemical/
DNA interactions. Those studies suggested that molecules that are very widely structurally diverse may be capable of…
