1,063
Views
25
CrossRef citations to date
0
Altmetric
Research Article

Quantitative structure–activity relationships (QSARs) in CYP3A4 inhibitors: The importance of lipophilic character and hydrogen bonding

, &
Pages 127-132 | Received 12 Sep 2005, Accepted 17 Nov 2005, Published online: 04 Oct 2008

Keep up to date with the latest research on this topic with citation updates for this article.

Read on this site (2)

David F. V. Lewis, Brian G. Lake & Maurice Dickins. (2007) Quantitative structure-activity relationships (QSARs) in inhibitors of various cytochromes P450: The importance of compound lipophilicity. Journal of Enzyme Inhibition and Medicinal Chemistry 22:1, pages 1-6.
Read now
Judith C Madden & Mark TD Cronin. (2006) Structure-based methods for the prediction of drug metabolism. Expert Opinion on Drug Metabolism & Toxicology 2:4, pages 545-557.
Read now

Articles from other publishers (23)

Sateja Paradkar, James Herrington, Adam Hendricson, Piyasena Hewawasam, Mark Plummer, Denton Hoyer, Ranjini K. Sundaram, Yulia V. Surovtseva & Ranjit S. Bindra. (2021) Creation of a new class of radiosensitizers for glioblastoma based on the mibefradil pharmacophore. Oncotarget 12:9, pages 891-906.
Crossref
Yingxin Xu, Tianxu Fang, Yifan Yang, Li’ang Sun & Qi Shen. (2019) Preparation of Deoxycholate-Modified Docetaxel-Cimetidine Complex Chitosan Nanoparticles to Improve Oral Bioavailability. AAPS PharmSciTech 20:7.
Crossref
Loai Basheer, Keren Schultz, Yelena Guttman & Zohar Kerem. (2017) In silico and in vitro inhibition of cytochrome P450 3A by synthetic stilbenoids. Food Chemistry 237, pages 895-903.
Crossref
Ken Yamada, Margaret Brousseau, Wataru Honma, Akiko Iimura, Hidetomo Imase, Yuki Iwaki, Toshio Kawanami, Daniel LaSala, Guiqing Liang, Hironobu Mitani, Kazuhiko Nonomura, Osamu Ohmori, Meihui Pan, Dean F. Rigel, Ichiro Umemura, Kayo Yasoshima, Guoming Zhu & Muneto Mogi. (2017) Discovery of a Novel Piperidine-Based Inhibitor of Cholesteryl Ester Transfer Protein (CETP) That Retains Activity in Hypertriglyceridemic Plasma. Journal of Medicinal Chemistry 60:20, pages 8466-8481.
Crossref
Loai Basheer, Keren Schultz & Zohar Kerem. (2016) Inhibition of cytochrome P450 3A by acetoxylated analogues of resveratrol in in vitro and in silico models. Scientific Reports 6:1.
Crossref
Nicholas A. Meanwell. (2016) Improving Drug Design: An Update on Recent Applications of Efficiency Metrics, Strategies for Replacing Problematic Elements, and Compounds in Nontraditional Drug Space. Chemical Research in Toxicology 29:4, pages 564-616.
Crossref
Anik SenSunirmal BarikAjeet SinghBishwajit Ganguly. (2015) Revealing the parameters to design the habit modifiers for rock-salt crystals: empirical to rational approach. Canadian Journal of Chemistry 93:11, pages 1219-1225.
Crossref
Loai Basheer, Keren Schultz, Merav Fichman & Zohar Kerem. (2015) Use of In Vitro and Predictive In Silico Models to Study the Inhibition of Cytochrome P4503A by Stilbenes. PLOS ONE 10:10, pages e0141061.
Crossref
Loai Basheer & Zohar Kerem. (2015) Interactions between CYP3A4 and Dietary Polyphenols. Oxidative Medicine and Cellular Longevity 2015, pages 1-15.
Crossref
Toshihiro Aoki, Ikumi Hyohdoh, Noriyuki Furuichi, Sawako Ozawa, Fumio Watanabe, Masayuki Matsushita, Masahiro Sakaitani, Kenji Morikami, Kenji Takanashi, Naoki Harada, Yasushi Tomii, Koji Shiraki, Kentaro Furumoto, Mitsuyasu Tabo, Kiyoshi Yoshinari, Kazutomo Ori, Yuko Aoki, Nobuo Shimma & Hitoshi Iikura. (2014) Optimizing the Physicochemical Properties of Raf/MEK Inhibitors by Nitrogen Scanning. ACS Medicinal Chemistry Letters 5:4, pages 309-314.
Crossref
E. van de Steeg, R. Greupink, M. Schreurs, I.H.G. Nooijen, K.C.M. Verhoeckx, R. Hanemaaijer, D. Ripken, M. Monshouwer, M.L.H. Vlaming, J. DeGroot, M. Verwei, F.G.M. Russel, M.T. Huisman & H.M. Wortelboer. (2013) Drug-Drug Interactions between Rosuvastatin and Oral Antidiabetic Drugs Occurring at the Level of OATP1B1. Drug Metabolism and Disposition 41:3, pages 592-601.
Crossref
Joo Yun Lee, Nam Sook Kang & Young Kee Kang. (2012) Binding free energies of inhibitors to iron porphyrin complex as a model for Cytochrome P450. Biopolymers 97:4, pages 219-228.
Crossref
Fabio Broccatelli, Caroline A. Larregieu, Gabriele Cruciani, Tudor I. Oprea & Leslie Z. Benet. (2012) Improving the prediction of the brain disposition for orally administered drugs using BDDCS. Advanced Drug Delivery Reviews 64:1, pages 95-109.
Crossref
Rick Greupink, Lieve Dillen, Mario Monshouwer, Maarten T. Huisman & Frans G.M. Russel. (2011) Interaction of fluvastatin with the liver-specific Na+-dependent taurocholate cotransporting polypeptide (NTCP). European Journal of Pharmaceutical Sciences 44:4, pages 487-496.
Crossref
Chad L. Stoner, Michael R. Wester & Benjamin J. Burke. 2010. Enzyme- and Transporter-Based Drug-Drug Interactions. Enzyme- and Transporter-Based Drug-Drug Interactions 151 168 .
Masayuki Tsujimoto, Maya Horie, Hiroko Honda, Kohji Takara & Kohshi Nishiguchi. (2009) The Structure-Activity Correlation on the Inhibitory Effects of Flavonoids on Cytochrome P450 3A Activity. Biological and Pharmaceutical Bulletin 32:4, pages 671-676.
Crossref
Aleksejs Kontijevskis, Jan Komorowski & Jarl E. S. Wikberg. (2008) Generalized Proteochemometric Model of Multiple Cytochrome P450 Enzymes and Their Inhibitors. Journal of Chemical Information and Modeling 48:9, pages 1840-1850.
Crossref
Kunal Roy & Partha Pratim Roy. (2008) Exploring QSARs for Binding Affinity of Azoles with CYP2B and CYP3A Enzymes Using GFA and G/PLS Techniques. Chemical Biology & Drug Design 71:5, pages 464-473.
Crossref
Hongmei Li, Theodros Asberom, Thomas A. Bara, John W. Clader, William J. Greenlee, Hubert B. Josien, Mark D. McBriar, Amin Nomeir, Dmitri A. Pissarnitski, Murali Rajagopalan, Ruo Xu, Zhiqiang Zhao, Lixin Song & Lili Zhang. (2007) Discovery of 2,4,6-trisubstituted N-arylsulfonyl piperidines as γ-secretase inhibitors. Bioorganic & Medicinal Chemistry Letters 17:22, pages 6290-6294.
Crossref
Hubert Josien, Thomas Bara, Murali Rajagopalan, Theodros Asberom, John W. Clader, Leonard Favreau, William J. Greenlee, Lynn A. Hyde, Amin A. Nomeir, Eric M. Parker, Dmitri A. Pissarnitski, Lixin Song, Gwendolyn T. Wong, Lili Zhang, Qi Zhang & Zhiqiang Zhao. (2007) Small conformationally restricted piperidine N-arylsulfonamides as orally active γ-secretase inhibitors. Bioorganic & Medicinal Chemistry Letters 17:19, pages 5330-5335.
Crossref
Daisuke Itokawa, Tomoki Nishioka, Junji Fukushima, Tomoyo Yasuda, Aiko Yamauchi & Hiroshi Chuman. (2007) Quantitative Structure–Activity Relationship Study of Binding Affinity of Azole Compounds with CYP2B and CYP3A. QSAR & Combinatorial Science 26:7, pages 828-836.
Crossref
J. L. C. M. Dorne, A. M. J. Ragas, G. K. Frampton, D. S. Spurgeon & D. F. Lewis. (2007) Trends in human risk assessment of pharmaceuticals. Analytical and Bioanalytical Chemistry 387:4, pages 1167-1172.
Crossref
Vaishali Tiwari & Rama Pande. (2006) Molecular Descriptors of N-Arylhydroxamic Acids: A Tool in Drug Design. Chemical Biology & Drug Design 68:4, pages 225-228.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.