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There are 20522 results for: content related to: Back to the Future: Can Physical Models of Passive Membrane Permeability Help Reduce Drug Candidate Attrition and Move Us Beyond QSPR?

  1. Advances in the Prediction of Protein–Peptide Binding Affinities: Implications for Peptide-Based Drug Discovery

    Chemical Biology & Drug Design

    Volume 81, Issue 1, January 2013, Pages: 50–60, Joseph Audie and Jon Swanson

    Article first published online : 17 DEC 2012, DOI: 10.1111/cbdd.12076

  2. Peptide Scanning for Studying Structure-Activity Relationships in Drug Discovery

    Chemical Biology & Drug Design

    Volume 81, Issue 1, January 2013, Pages: 148–165, Andrew G. Jamieson, Nicolas Boutard, David Sabatino and William D. Lubell

    Article first published online : 17 DEC 2012, DOI: 10.1111/cbdd.12042

  3. Structure-Based Design and Synthesis of Benzothiazole Phosphonate Analogues with Inhibitors of Human ABAD-Aβ for Treatment of Alzheimer’s Disease

    Chemical Biology & Drug Design

    Volume 81, Issue 2, February 2013, Pages: 238–249, Koteswara R. Valasani, Gang Hu, Michael O. Chaney and Shirley S. Yan

    Article first published online : 14 NOV 2012, DOI: 10.1111/cbdd.12068

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    Unraveling the Energetics and Mode of the Recognition of Antibiotics Tetracycline and Rolitetracycline by Bovine Serum Albumin

    Chemical Biology & Drug Design

    Volume 80, Issue 5, November 2012, Pages: 693–705, Sinjan Choudhary and Nand Kishore

    Article first published online : 31 AUG 2012, DOI: 10.1111/cbdd.12009

  5. Investigation into Potent Inflammation Inhibitors from Traditional Chinese Medicine

    Chemical Biology & Drug Design

    Volume 78, Issue 4, October 2011, Pages: 679–688, Kuan-Chung Chen, Mao-Feng Sun, Shun-Chieh Yang, Su-Sen Chang, Hsin-Yi Chen, Fuu-Jen Tsai and Calvin Yu-Chian Chen

    Article first published online : 6 SEP 2011, DOI: 10.1111/j.1747-0285.2011.01202.x

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    Evaluation of Imidazole-Based Compounds as Heme Oxygenase-1 Inhibitors

    Chemical Biology & Drug Design

    Volume 80, Issue 6, December 2012, Pages: 876–886, Valeria Sorrenti, Salvatore Guccione, Claudia Di Giacomo, Maria N. Modica, Valeria Pittalà, Rosaria Acquaviva, Livia Basile, Morena Pappalardo and Loredana Salerno

    Article first published online : 9 OCT 2012, DOI: 10.1111/cbdd.12015

  7. Discovery of New Antifungal Leads via Pharmacophore Modeling and QSAR Analysis of Fungal N-Myristoyl Transferase Inhibitors Followed by In Silico Screening

    Chemical Biology & Drug Design

    Volume 78, Issue 3, September 2011, Pages: 391–407, Mutasem O. Taha, Amjad M. Qandil, Tariq Al-Haraznah, Reema Abu Khalaf, Hiba Zalloum and Amal G. Al-Bakri

    Article first published online : 13 JUL 2011, DOI: 10.1111/j.1747-0285.2011.01160.x

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    Computational Studies of Novel Chymase Inhibitors Against Cardiovascular and Allergic Diseases: Mechanism and Inhibition

    Chemical Biology & Drug Design

    Volume 80, Issue 6, December 2012, Pages: 862–875, Mahreen Arooj, Sundarapandian Thangapandian, Shalini John, Swan Hwang, Jong K. Park and Keun W. Lee

    Article first published online : 25 OCT 2012, DOI: 10.1111/cbdd.12006

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    Prodrugs of Acyclovir – A Computational Approach

    Chemical Biology & Drug Design

    Volume 79, Issue 5, May 2012, Pages: 819–834, Rafik Karaman, Khuloud K. Dajani, Alaa Qtait and Mustafa Khamis

    Article first published online : 15 FEB 2012, DOI: 10.1111/j.1747-0285.2012.01335.x

  10. Binding Site Analysis of CCR2 Through In Silico Methodologies: Docking, CoMFA, and CoMSIA

    Chemical Biology & Drug Design

    Volume 78, Issue 1, July 2011, Pages: 161–174, Gugan Kothandan, Changdev G. Gadhe, Thirumurthy Madhavan and Seung J. Cho

    Article first published online : 29 MAR 2011, DOI: 10.1111/j.1747-0285.2011.01095.x

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    CASE Plots for the Chemotype-Based Activity and Selectivity Analysis: A CASE Study of Cyclooxygenase Inhibitors

    Chemical Biology & Drug Design

    Volume 80, Issue 5, November 2012, Pages: 752–762, Jaime Pérez-Villanueva, José L. Medina-Franco, Oscar Méndez-Lucio, Jakyung Yoo, Olivia Soria-Arteche, Teresa Izquierdo, M. Concepción Lozada and Rafael Castillo

    Article first published online : 10 SEP 2012, DOI: 10.1111/cbdd.12019

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    Vicinal Diamino Functionalities as Privileged Structural Elements in Biologically Active Compounds and Exploitation of their Synthetic Chemistry

    Chemical Biology & Drug Design

    Volume 67, Issue 2, February 2006, Pages: 101–114, S. R. S. Saibabu Kotti, Cody Timmons and Guigen Li

    Article first published online : 14 FEB 2006, DOI: 10.1111/j.1747-0285.2006.00347.x

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    Exploring the Interaction Between siRNA and the SMoC Biomolecule Transporters: Implications for Small Molecule–Mediated Delivery of siRNA

    Chemical Biology & Drug Design

    Volume 79, Issue 1, January 2012, Pages: 9–21, Matt Gooding, Slavica Tudzarova, Roberta J. Worthington, Sarah R. Kingsbury, Anne-Sophie Rebstock, Henry Dube, Michela I. Simone, Cristina Visintin, Dimitris Lagos, Juan-Manuel Funes Quesada, Heike Laman, Chris Boshoff, Gareth H. Williams, Kai Stoeber and David L. Selwood

    Article first published online : 4 NOV 2011, DOI: 10.1111/j.1747-0285.2011.01249.x

  14. QSAR Models for Phosphoramidate Prodrugs of 2′-Methylcytidine as Inhibitors of Hepatitis C Virus Based on PSO Boosting

    Chemical Biology & Drug Design

    Volume 78, Issue 6, December 2011, Pages: 948–959, Zhengjun Cheng, Yuntao Zhang and Changhong Zhou

    Article first published online : 31 OCT 2011, DOI: 10.1111/j.1747-0285.2011.01236.x

  15. Structure-Based Virtual Screening of Glycogen Synthase Kinase 3β Inhibitors: Analysis of Scoring Functions Applied to Large True Actives and Decoy Sets

    Chemical Biology & Drug Design

    Volume 78, Issue 3, September 2011, Pages: 378–390, Dmitry I. Osolodkin, Vladimir A. Palyulin and Nikolay S. Zefirov

    Article first published online : 29 JUL 2011, DOI: 10.1111/j.1747-0285.2011.01159.x

  16. Computational-Aided Design for Dopamine Prodrugs Based on Novel Chemical Approach

    Chemical Biology & Drug Design

    Volume 78, Issue 5, November 2011, Pages: 853–863, Rafik Karaman

    Article first published online : 26 SEP 2011, DOI: 10.1111/j.1747-0285.2011.01208.x

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    3D-QSAR Studies of JNK1 Inhibitors Utilizing Various Alignment Methods

    Chemical Biology & Drug Design

    Volume 79, Issue 1, January 2012, Pages: 53–67, Thirumurthy Madhavan, Jae Yoon Chung, Gugan Kothandan, Changdev G. Gadhe and Seung Joo Cho

    Article first published online : 4 NOV 2011, DOI: 10.1111/j.1747-0285.2011.01168.x

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    Biological Effects of AL622, a Molecule Rationally Designed to Release an EGFR and a c-Src Kinase Inhibitor

    Chemical Biology & Drug Design

    Volume 80, Issue 6, December 2012, Pages: 981–991, Anne-Laure Larroque-Lombard, Na Ning, Suman Rao, Sylvia Lauwagie, Ruba Halaoui, Laëtitia Coudray, Ying Huang and Bertrand J. Jean-Claude

    Article first published online : 25 OCT 2012, DOI: 10.1111/cbdd.12043

  19. Mutagenicity of Nitrated Polycyclic Aromatic Hydrocarbons: A QSAR Investigation

    Chemical Biology & Drug Design

    Volume 71, Issue 3, March 2008, Pages: 230–243, Jyoti Singh, Shalini Singh, Basheerulla Shaik, Omar Deeb, Neena Sohani, Vijay K. Agrawal and Padmakar V. Khadikar

    Article first published online : 30 JAN 2008, DOI: 10.1111/j.1747-0285.2008.00629.x

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    Discovery of Novel Vascular Endothelial Growth Factor Receptor 2 Inhibitors: A Virtual Screening Approach

    Chemical Biology & Drug Design

    Volume 80, Issue 6, December 2012, Pages: 893–901, Lei Zhang, Xuejian Wang, Jinhong Feng, Yuping Jia, Fuming Xu and Wenfang Xu

    Article first published online : 25 OCT 2012, DOI: 10.1111/cbdd.12036