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- W3166155422 endingPage "113559" @default.
- W3166155422 startingPage "113559" @default.
- W3166155422 abstract "The importance of aldehyde oxidase (AOX) in drug metabolism necessitates the development and application of the in silico rational drug design methods as an integral part of drug discovery projects for the early prediction and modulation of AOX-mediated metabolism. The current study represents an up-to-date and thorough review of in silico studies of AOX-mediated metabolism and modulation methods. In addition, the challenges and the knowledge gap that should be covered have been discussed. The importance of aldehyde oxidase (AOX) in drug metabolism is a hot topic in drug discovery. Different strategies are available for the modulation of the AOX-mediated metabolism of drugs. Application of the rational drug design methods as an integral part of drug discovery projects is necessary for the early prediction of AOX-mediated metabolism. The current study represents a comprehensive review of AOX molecular structure, AOX-mediated reactions, AOX substrates, AOX inhibition, approaches to modify AOX-mediated metabolism, prediction of AOX metabolism/substrates/inhibitors, and the AOX related structure-activity relationship (SAR) studies. Furthermore, an up-to-date and thorough review of in silico studies of AOX metabolism has been carried out. In addition, the challenges and the knowledge gap that should be covered in the scientific literature have been discussed in the current review. • AOX mediated metabolism is as an integrated part of drug discovery projects. • Lack of reliable in vitro/in vivo and general in silico models are the main challenges. • SAR-based chemical modifications are the main approach of AOX-mediated metabolism modulation. • It is possible to achieve rational modulation of AOX-mediated metabolism by in silico models." @default.
- W3166155422 created "2021-06-22" @default.
- W3166155422 creator A5025062634 @default.
- W3166155422 creator A5057905231 @default.
- W3166155422 creator A5064258915 @default.
- W3166155422 date "2021-10-01" @default.
- W3166155422 modified "2023-09-26" @default.
- W3166155422 title "A comprehensive review of in silico approaches for the prediction and modulation of aldehyde oxidase-mediated drug metabolism: The current features, challenges and future perspectives" @default.
- W3166155422 cites W1516799749 @default.
- W3166155422 cites W1577985842 @default.
- W3166155422 cites W1966123926 @default.
- W3166155422 cites W1972416867 @default.
- W3166155422 cites W1977930818 @default.
- W3166155422 cites W1978703735 @default.
- W3166155422 cites W1980212368 @default.
- W3166155422 cites W1986357594 @default.
- W3166155422 cites W2001989326 @default.
- W3166155422 cites W2006516472 @default.
- W3166155422 cites W2007894312 @default.
- W3166155422 cites W2008183602 @default.
- W3166155422 cites W2008282482 @default.
- W3166155422 cites W2013860353 @default.
- W3166155422 cites W2016422384 @default.
- W3166155422 cites W2021508930 @default.
- W3166155422 cites W2023589339 @default.
- W3166155422 cites W2027744634 @default.
- W3166155422 cites W2034086280 @default.
- W3166155422 cites W2038721188 @default.
- W3166155422 cites W2046083229 @default.
- W3166155422 cites W2048949364 @default.
- W3166155422 cites W2057605141 @default.
- W3166155422 cites W2058342217 @default.
- W3166155422 cites W2061080230 @default.
- W3166155422 cites W2062441961 @default.
- W3166155422 cites W2064846828 @default.
- W3166155422 cites W2067384850 @default.
- W3166155422 cites W2075050088 @default.
- W3166155422 cites W2077108587 @default.
- W3166155422 cites W2087826156 @default.
- W3166155422 cites W2090584928 @default.
- W3166155422 cites W2092420742 @default.
- W3166155422 cites W2095239974 @default.
- W3166155422 cites W2104776564 @default.
- W3166155422 cites W2107723834 @default.
- W3166155422 cites W2113607824 @default.
- W3166155422 cites W2113865463 @default.
- W3166155422 cites W2115053746 @default.
- W3166155422 cites W2115147225 @default.
- W3166155422 cites W2115752528 @default.
- W3166155422 cites W2118666253 @default.
- W3166155422 cites W2119432174 @default.
- W3166155422 cites W2133600149 @default.
- W3166155422 cites W2134575967 @default.
- W3166155422 cites W2141534876 @default.
- W3166155422 cites W2143335369 @default.
- W3166155422 cites W2155635155 @default.
- W3166155422 cites W2155925720 @default.
- W3166155422 cites W2156044670 @default.
- W3166155422 cites W2156168853 @default.
- W3166155422 cites W2157941142 @default.
- W3166155422 cites W2166501048 @default.
- W3166155422 cites W2206755378 @default.
- W3166155422 cites W2214706411 @default.
- W3166155422 cites W2233464627 @default.
- W3166155422 cites W2289764719 @default.
- W3166155422 cites W2325942679 @default.
- W3166155422 cites W2327180352 @default.
- W3166155422 cites W2344622021 @default.
- W3166155422 cites W2402258526 @default.
- W3166155422 cites W2410476179 @default.
- W3166155422 cites W2429846549 @default.
- W3166155422 cites W2470333426 @default.
- W3166155422 cites W2494156808 @default.
- W3166155422 cites W2501680897 @default.
- W3166155422 cites W2550491072 @default.
- W3166155422 cites W2579314253 @default.
- W3166155422 cites W2581481137 @default.
- W3166155422 cites W2589072694 @default.
- W3166155422 cites W2593129097 @default.
- W3166155422 cites W2604139305 @default.
- W3166155422 cites W2607134204 @default.
- W3166155422 cites W2617635800 @default.
- W3166155422 cites W2661763774 @default.
- W3166155422 cites W2716709605 @default.
- W3166155422 cites W2743704345 @default.
- W3166155422 cites W2751264125 @default.
- W3166155422 cites W2771257540 @default.
- W3166155422 cites W2783174552 @default.
- W3166155422 cites W2789631898 @default.
- W3166155422 cites W2792650144 @default.
- W3166155422 cites W2796070144 @default.
- W3166155422 cites W2800460196 @default.
- W3166155422 cites W2802157552 @default.
- W3166155422 cites W2881264302 @default.
- W3166155422 cites W2889213399 @default.
- W3166155422 cites W2891135075 @default.
- W3166155422 cites W2897962066 @default.
- W3166155422 cites W2898254544 @default.