scholarly journals Computational methods and tools to predict cytochrome P450 metabolism for drug discovery

2019 ◽  
Vol 93 (4) ◽  
pp. 377-386 ◽  
Author(s):  
Jonathan D. Tyzack ◽  
Johannes Kirchmair
Keyword(s):  
Cytochrome P450 ◽  
Drug Discovery ◽  
Computational Methods

Role of Cytochrome P450 in Prostate Cancer and its Therapy

2020 ◽  
Vol 16 (1) ◽  
pp. 63-73 ◽  
Author(s):  
Rishabh Kaushik ◽  
Sheeza Khan ◽  
Meesha Sharma ◽  
Srinivasan Hemalatha ◽  
Zeba Mueed ◽  
...  
Keyword(s):  
Prostate Cancer ◽  
Cytochrome P450 ◽  
Drug Discovery ◽  
Cholesterol Metabolism ◽  
Molecular Targets ◽  
Health Concern ◽  
Metabolic Functions ◽  
Novel Drugs ◽  
Genes Encoding ◽  
Causes Of Mortality

Prostate cancer has become a global health concern as it is one of the leading causes of mortality in males. With the emerging drug resistance to conventional therapies, it is imperative to unravel new molecular targets for disease prevention. Cytochrome P450 (P450s or CYPs) represents a unique class of mixed-function oxidases which catalyses a wide array of biosynthetic and metabolic functions including steroidogenesis and cholesterol metabolism. Several studies have reported the overexpression of the genes encoding CYPs in prostate cancer cells and how they can be used as molecular targets for drug discovery. But due to functional redundancy and overlapping expression of CYPs in several other metabolic pathways there are several impediments in the clinical efficacy of the novel drugs reported till now. Here we review the most crucial P450 enzymes which are involved in prostate cancer and how they can be used as molecular targets for drug discovery along with the clinical limitations of the currently existing CYP inhibitors.

High Confidence Predictions of Drug−Drug Interactions: Predicting Affinities for Cytochrome P450 2C9 with Multiple Computational Methods

2008 ◽  
Vol 51 (3) ◽  
pp. 648-654 ◽  
Author(s):  
Matthew G. Hudelson ◽  
Nikhil S. Ketkar ◽  
Lawrence B. Holder ◽  
Timothy J. Carlson ◽  
Chi-Chi Peng ◽  
...  
Keyword(s):  
Cytochrome P450 ◽  
Drug Interactions ◽  
Computational Methods ◽  
Cytochrome P450 2C9 ◽  
High Confidence

Software-aided cytochrome P450 reaction phenotyping and kinetic analysis in early drug discovery

2015 ◽  
Vol 30 (2) ◽  
pp. 301-310 ◽  
Author(s):  
Esra Nurten Cece-Esencan ◽  
Fabien Fontaine ◽  
Guillem Plasencia ◽  
Marieke Teppner ◽  
Andreas Brink ◽  
...  
Keyword(s):  
Cytochrome P450 ◽  
Drug Discovery ◽  
Kinetic Analysis ◽  
Reaction Phenotyping ◽  
Early Drug
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