Citations (63)
Keep up to date with the latest research on this topic with citation updates for this article.
Read on this site (2)
Ghyzlane EL Haddoumi, Mariam Mansouri, Houda Bendani, El Mehdi Bouricha, Ilham Kandoussi, Lahcen Belyamani & Azeddine Ibrahimi. (2023) Facing Antitubercular Resistance: Identification of Potential Direct Inhibitors Targeting InhA Enzyme and Generation of 3D-pharmacophore Model by in silico Approach. Advances and Applications in Bioinformatics and Chemistry 16, pages 49-59.
Read now
Read now
Emanuel Raschi & Fabrizio De Ponti. (2014) Lubiprostone: pharmacokinetic, pharmacodynamic, safety and regulatory aspects in the treatment of constipation-predominant irritable bowel syndrome. Expert Opinion on Drug Metabolism & Toxicology 10:2, pages 293-305.
Read now
Read now
Articles from other publishers (61)
Zhongtang Li, Fan Fang, Yiyan Li, Xuehui Lv, Ruqiu Zheng, Peili Jiao, Yuxi Wang, Guiwang Zhu, Zefang Jin, Xiangqing Xu, Yinli Qiu, Guisen Zhang, Zhongjun Li, Zhenming Liu & Liangren Zhang. (2023) Carbazole and tetrahydro-carboline derivatives as dopamine D3 receptor antagonists with the multiple antipsychotic-like properties. Acta Pharmaceutica Sinica B 13:11, pages 4553-4577.
Crossref
Crossref
Serena Vittorio, Filippo Lunghini, Alessandro Pedretti, Giulio Vistoli & Andrea R. Beccari. (2023) Ensemble of structure and ligand-based classification models for hERG liability profiling. Frontiers in Pharmacology 14.
Crossref
Crossref
Ghyzlane EL Haddoumi, Mariam Mansouri, Houda Bendani, Mohammed Walid Chemao-Elfihri, Jouhaina Kourou, Hanane Abbou, Lahcen Belyamani, Ilham Kandoussi & Azeddine Ibrahimi. (2023) Selective Non-toxics Inhibitors Targeting DHFR for Tuberculosis and Cancer Therapy: Pharmacophore Generation and Molecular Dynamics Simulation. Bioinformatics and Biology Insights 17, pages 117793222311717.
Crossref
Crossref
Xinyan Peng, Qiushi Chen, Bo Han, Hao Zhang, Jianqi Li & Qingwei Zhang. 2023. Privileged Scaffolds in Drug Discovery. Privileged Scaffolds in Drug Discovery
273
299
.
Patrícia S. M. Amado, Christopher Woodley, Maria L. S. Cristiano & Paul M. O’Neill. (2022)
Recent Advances of DprE1 Inhibitors against
Mycobacterium tuberculosis
: Computational Analysis of Physicochemical and ADMET Properties
. ACS Omega 7:45, pages 40659-40681.
Crossref
Crossref
Mourad Ounissi & Fatma Zohra Rachedi. (2022)
Targeting the SARS-CoV-2 Main Protease:
In Silico
Study Contributed to Exploring Potential Natural Compounds as Candidate Inhibitors
. Journal of Computational Biophysics and Chemistry 21:06, pages 663-682.
Crossref
Crossref
Bright C. Uzuegbunam, Junhao Li, Wojciech Paslawski, Wolfgang Weber, Per Svenningsson, Hans Ågren & Behrooz Hooshyar Yousefi. (2022) Toward Novel [18F]Fluorine-Labeled Radiotracers for the Imaging of α-Synuclein Fibrils. Frontiers in Aging Neuroscience 14.
Crossref
Crossref
Apoorva M. Kulkarni, Shraddha Parate, Gihwan Lee, Yongseong Kim, Tae Sung Jung, Keun Woo Lee & Min Woo Ha. (2022) Computational Simulations Highlight the IL2Rα Binding Potential of Polyphenol Stilbenes from Fenugreek. Molecules 27:4, pages 1215.
Crossref
Crossref
Marisa G. Santibáñez‐Morán & José L. Medina‐Franco. (2021) The Acid/Base Characterization of Molecules with Epigenetic Activity. ChemMedChem 16:11, pages 1745-1754.
Crossref
Crossref
Lanchang Gao, Chao Hao, Ru Ma, Jiali Chen, Guisen Zhang & Yin Chen. (2021) Synthesis and biological evaluation of a new class of multi-target heterocycle piperazine derivatives as potential antipsychotics. RSC Advances 11:28, pages 16931-16941.
Crossref
Crossref
Lanchang Gao, Chao Hao, Jiali Chen, Ru Ma, Lu Zheng, Qingkun Wu, Xin Liu, Bi-Feng Liu, Guisen Zhang, Yin Chen & Jian Jin. (2021) Discovery of a new class of multi-target heterocycle piperidine derivatives as potential antipsychotics with pro-cognitive effect. Bioorganic & Medicinal Chemistry Letters 40, pages 127909.
Crossref
Crossref
Lloyd Tanner, Richard K. Haynes & Lubbe Wiesner. (2020) Accumulation of TB-Active Compounds in Murine Organs Relevant to Infection by Mycobacterium tuberculosis. Frontiers in Pharmacology 11.
Crossref
Crossref
Søren Wedel Svenningsen, Rikki Franklin Frederiksen, Claire Counil, Mario Ficker, Jørgen J. Leisner & Jørn Bolstad Christensen. (2020) Synthesis and Antimicrobial Properties of a Ciprofloxacin and PAMAM-dendrimer Conjugate. Molecules 25:6, pages 1389.
Crossref
Crossref
Godfrey Mayoka, Mathew Njoroge, John Okombo, Liezl Gibhard, Margarida Sanches-Vaz, Diana Fontinha, Lyn-Marie Birkholtz, Janette Reader, Mariëtte van der Watt, Theresa L. Coetzer, Sonja Lauterbach, Alisje Churchyard, Belinda Bezuidenhout, Timothy J. Egan, Clive YeatesSergio Wittlin, Miguel Prudêncio & Kelly Chibale. (2018)
Structure–Activity Relationship Studies and
Plasmodium
Life Cycle Profiling Identifies Pan-Active
N
-Aryl-3-trifluoromethyl Pyrido[1,2-
a
]benzimidazoles Which Are Efficacious in an
in Vivo
Mouse Model of Malaria
. Journal of Medicinal Chemistry 62:2, pages 1022-1035.
Crossref
Crossref
Xudong Cao, Yifang Zhang, Yin Chen, Yinli Qiu, Minquan Yu, Xiangqing Xu, Xin Liu, Bi-Feng Liu, Liangren Zhang & Guisen Zhang. (2018) Synthesis and Biological Evaluation of Fused Tricyclic Heterocycle Piperazine (Piperidine) Derivatives As Potential Multireceptor Atypical Antipsychotics. Journal of Medicinal Chemistry 61:22, pages 10017-10039.
Crossref
Crossref
Saba Munawar, Monique J. Windley, Edwin G. Tse, Matthew H. Todd, Adam P. Hill, Jamie I. Vandenberg & Ishrat Jabeen. (2018) Experimentally Validated Pharmacoinformatics Approach to Predict hERG Inhibition Potential of New Chemical Entities. Frontiers in Pharmacology 9.
Crossref
Crossref
Ramit Singla, Kunal Prakash, Kunj Bihari Gupta, Shishir Upadhyay, Monisha Dhiman & Vikas Jaitak. (2018) Identification of novel indole based heterocycles as selective estrogen receptor modulator. Bioorganic Chemistry 79, pages 72-88.
Crossref
Crossref
Elisa Uliassi, Giulia Fiorani, R. Luise Krauth-Siegel, Christian Bergamini, Romana Fato, Giulia Bianchini, J. Carlos Menéndez, Maria Teresa Molina, Eulogio López-Montero, Federico Falchi, Andrea Cavalli, Sheraz Gul, Maria Kuzikov, Bernhard Ellinger, Gesa Witt, Carolina B. Moraes, Lucio H. Freitas-Junior, Chiara Borsari, Maria Paola Costi & Maria Laura Bolognesi. (2017) Crassiflorone derivatives that inhibit Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase ( Tb GAPDH) and Trypanosoma cruzi trypanothione reductase ( Tc TR) and display trypanocidal activity. European Journal of Medicinal Chemistry 141, pages 138-148.
Crossref
Crossref
Barbara Männel, Daniela Dengler, Jeremy Shonberg, Harald Hübner, Dorothee Möller & Peter Gmeiner. (2017)
Hydroxy-Substituted Heteroarylpiperazines: Novel Scaffolds for β-Arrestin-Biased D
2
R Agonists
. Journal of Medicinal Chemistry 60:11, pages 4693-4713.
Crossref
Crossref
Lorna Hazell, Emanuel Raschi, Fabrizio Ponti, Simon H. L. Thomas, Francesco Salvo, Ernst Ahlberg Helgee, Scott Boyer, Miriam Sturkenboom & Saad Shakir. (2016) Evidence for the hERG Liability of Antihistamines, Antipsychotics, and Anti‐Infective Agents: A Systematic Literature Review From the ARITMO Project. The Journal of Clinical Pharmacology 57:5, pages 558-572.
Crossref
Crossref
David Lagorce, Dominique Douguet, Maria A. Miteva & Bruno O. Villoutreix. (2017) Computational analysis of calculated physicochemical and ADMET properties of protein-protein interaction inhibitors. Scientific Reports 7:1.
Crossref
Crossref
Sanchaita Rajkhowa, Sapna Mayuri Borah, Anupam Nath Jha & Ramesh Chandra Deka. (2017) Design of Plasmodium falciparum PI(4)KIIIβ Inhibitor using Molecular Dynamics and Molecular Docking Methods. ChemistrySelect 2:5, pages 1783-1792.
Crossref
Crossref
Júlia Šatková & Markéta Bébarová. (2017) Functional impact of hERG: from physiological role to target of anticancer therapy. Vnitřní lékařství 63:2, pages 114-123.
Crossref
Crossref
Carlota Oleaga, Gregg Legters, L. Richard Bridges, Lee Kumanchik, Candace Martin, Yunqing Cai, Mark Schnepper, Christopher W. McAleer, Christopher J. Long & James J. Hickman. 2017. Stem Cell-Derived Models in Toxicology. Stem Cell-Derived Models in Toxicology
229
246
.
Carlota Oleaga, Catia Bernabini, Alec S.T. Smith, Balaji Srinivasan, Max Jackson, William McLamb, Vivien Platt, Richard Bridges, Yunqing Cai, Navaneetha Santhanam, Bonnie Berry, Sarah Najjar, Nesar Akanda, Xiufang Guo, Candace Martin, Gail Ekman, Mandy B. Esch, Jessica Langer, Gladys Ouedraogo, Jose Cotovio, Lionel Breton, Michael L. Shuler & James J. Hickman. (2016) Multi-Organ toxicity demonstration in a functional human in vitro system composed of four organs. Scientific Reports 6:1.
Crossref
Crossref
Swapnil Chavan, Ahmed Abdelaziz, Jesper G. Wiklander & Ian A. Nicholls. (2016) A k-nearest neighbor classification of hERG K+ channel blockers. Journal of Computer-Aided Molecular Design 30:3, pages 229-236.
Crossref
Crossref
Hai-bo Yu, Bei-yan Zou, Xiao-liang Wang & Min Li. (2016) Investigation of miscellaneous hERG inhibition in large diverse compound collection using automated patch-clamp assay. Acta Pharmacologica Sinica 37:1, pages 111-123.
Crossref
Crossref
Igor Koturbash, William H Tolleson, Lei Guo, Dianke Yu, Si Chen, Huixiao Hong, William Mattes & Baitang Ning. (2015) microRNAs as pharmacogenomic biomarkers for drug efficacy and drug safety assessment. Biomarkers in Medicine 9:11, pages 1153-1176.
Crossref
Crossref
Claudia Stark & Thomas Steger-Hartmann. 2016. New Approaches to Drug Discovery. New Approaches to Drug Discovery
261
283
.
Qingxin Li, Ying Lei Wong, Hui Qi Ng, Shovanlal Gayen & CongBao Kang. (2014) Structural insight into the transmembrane segments 3 and 4 of the hERG potassium channel. Journal of Peptide Science 20:12, pages 935-944.
Crossref
Crossref
Jadel M. Kratz, Daniela Schuster, Michael Edtbauer, Priyanka Saxena, Christina E. Mair, Julia Kirchebner, Barbara Matuszczak, Igor Baburin, Steffen Hering & Judith M. Rollinger. (2014) Experimentally Validated hERG Pharmacophore Models as Cardiotoxicity Prediction Tools. Journal of Chemical Information and Modeling 54:10, pages 2887-2901.
Crossref
Crossref
John Mitcheson & Annarosa Arcangeli. 2014. Ion Channel Drug Discovery. Ion Channel Drug Discovery
258
296
.
Li-li Liu, Jing Lu, Yin Lu, Ming-yue Zheng, Xiao-min Luo, Wei-liang Zhu, Hua-liang Jiang & Kai-xian Chen. (2014) Novel Bayesian classification models for predicting compounds blocking hERG potassium channels. Acta Pharmacologica Sinica 35:8, pages 1093-1102.
Crossref
Crossref
Christian Kramer, Julian E. Fuchs, Steven Whitebread, Peter Gedeck & Klaus R. Liedl. (2014) Matched Molecular Pair Analysis: Significance and the Impact of Experimental Uncertainty. Journal of Medicinal Chemistry 57:9, pages 3786-3802.
Crossref
Crossref
B. Wi niowska, A. Mendyk, K. Fijorek & S. Polak. (2014) Computer-based prediction of the drug proarrhythmic effect: problems, issues, known and suspected challenges. Europace 16:5, pages 724-735.
Crossref
Crossref
Claudine Mayer & Yves L. Janin. (2013) Non-quinolone Inhibitors of Bacterial Type IIA Topoisomerases: A Feat of Bioisosterism. Chemical Reviews 114:4, pages 2313-2342.
Crossref
Crossref
Kyle Kolaja. (2014) Stem Cells and Stem Cell-derived Tissues and Their Use in Safety Assessment. Journal of Biological Chemistry 289:8, pages 4555-4561.
Crossref
Crossref
Kirsten Achilles Poon, Kelly Flagella, Joseph Beyer, Jay Tibbitts, Surinder Kaur, Ola Saad, Joo-Hee Yi, Sandhya Girish, Noel Dybdal & Theresa Reynolds. (2013) Preclinical safety profile of trastuzumab emtansine (T-DM1): Mechanism of action of its cytotoxic component retained with improved tolerability. Toxicology and Applied Pharmacology 273:2, pages 298-313.
Crossref
Crossref
Christopher Kogut, Ericka Breden Crouse, W. Victor R. Vieweg, Mehrul Hasnain, Adrian Baranchuk, Geneviève C. Digby, Jayanthi N. Koneru, Antony Fernandez, Anand Deshmukh, Jules C. Hancox & Ananda K. Pandurangi. (2013)
Selective serotonin reuptake inhibitors and
torsade de pointes
: new concepts and new directions derived from a systematic review of case reports
. Therapeutic Advances in Drug Safety 4:5, pages 189-198.
Crossref
Crossref
W. Victor R. Vieweg, Mehrul Hasnain, Robert H. Howland, Thomas Clausen, Jayanthi N. Koneru, Christopher Kogut, Ericka L. Breden Crouse, Jules C. Hancox, Antony Fernandez & Ananda K. Pandurangi. (2013)
Methadone, QTc interval prolongation and
torsade de pointes
: Case reports offer the best understanding of this problem
. Therapeutic Advances in Psychopharmacology 3:4, pages 219-232.
Crossref
Crossref
Anwar Rayan, Mizied Falah, Jamal Raiyn, Beny Da'adoosh, Sleman Kadan, Hilal Zaid & Amiram Goldblum. (2013) Indexing molecules for their hERG liability. European Journal of Medicinal Chemistry 65, pages 304-314.
Crossref
Crossref
Elisabetta Poluzzi, Emanuel Raschi, Ariola Koci, Ugo Moretti, Edoardo Spina, Elijah R. Behr, Miriam Sturkenboom & Fabrizio De Ponti. (2013) Antipsychotics and Torsadogenic Risk: Signals Emerging from the US FDA Adverse Event Reporting System Database. Drug Safety 36:6, pages 467-479.
Crossref
Crossref
Douglas B. Kell, Paul D. Dobson, Elizabeth Bilsland & Stephen G. Oliver. (2013) The promiscuous binding of pharmaceutical drugs and their transporter-mediated uptake into cells: what we (need to) know and how we can do so. Drug Discovery Today 18:5-6, pages 218-239.
Crossref
Crossref
David T. Manallack, Richard J. Prankerd, Gemma C. Nassta, Oleg Ursu, Tudor I. Oprea & David K. Chalmers. (2013) A Chemogenomic Analysis of Ionization Constants—Implications for Drug Discovery. ChemMedChem 8:2, pages 242-255.
Crossref
Crossref
David T. Manallack, Richard J. Prankerd, Elizabeth Yuriev, Tudor I. Oprea & David K. Chalmers. (2013) The significance of acid/base properties in drug discovery. Chem. Soc. Rev. 42:2, pages 485-496.
Crossref
Crossref
Nigel Greene & Mark Gosink. 2013. Computational Toxicology. Computational Toxicology
171
193
.
Hui Qi Ng, Young Mee Kim, Qiwei Huang, Shovanlal Gayen, Ahu Arslan Yildiz, Ho Sup Yoon, Eva-Kathrin Sinner & CongBao Kang. (2012) Purification and structural characterization of the voltage-sensor domain of the hERG potassium channel. Protein Expression and Purification 86:2, pages 98-104.
Crossref
Crossref
Sonja Visentin, Giuseppe Ermondi, Claudio Medana, Nicoletta Pedemonte, Luis Galietta & Giulia Caron. (2012) Ligand-based design, in silico ADME-Tox filtering, synthesis and biological evaluation to discover new soluble 1,4-DHP-based CFTR activators. European Journal of Medicinal Chemistry 55, pages 188-194.
Crossref
Crossref
Andrea Cavalli, Rosa Buonfiglio, Cristina Ianni, Matteo Masetti, Luisa Ceccarini, Rachel Caves, Michael W. Y. Chang, John S. Mitcheson, Marinella Roberti & Maurizio Recanatini. (2012) Computational Design and Discovery of “Minimally Structured” hERG Blockers. Journal of Medicinal Chemistry 55:8, pages 4010-4014.
Crossref
Crossref
Nicholas C. V. Pilkington, Matthew W. B. Trotter & Sean B. Holden. (2012) Multiple Kernel Learning for Drug Discovery. Molecular Informatics 31:3-4, pages 313-322.
Crossref
Crossref
Tim Luker, Lilian Alcaraz, Kamaldeep K. Chohan, Niklas Blomberg, Dearg S. Brown, Roger J. Butlin, Thomas Elebring, Andrew M. Griffin, Simon Guile, Stephen St-Gallay, Britt-Marie Swahn, Steve Swallow, Michael J. Waring, Mark C. Wenlock & Paul D. Leeson. (2011) Strategies to improve in vivo toxicology outcomes for basic candidate drug molecules. Bioorganic & Medicinal Chemistry Letters 21:19, pages 5673-5679.
Crossref
Crossref
Nigel Greene & Minghu Song. (2011)
Predicting
in vivo
safety characteristics using physiochemical properties and
in vitro
assays
. Future Medicinal Chemistry 3:12, pages 1503-1511.
Crossref
Crossref
Lawrence Z. Satin, Todd A. Durham & J. Rick Turner. (2011) Assessing a Drug’s Proarrhythmic Liability: An Overview of Computer Simulation Modeling, Nonclinical Assays, and the Thorough QT/QTc Study. Drug Information Journal 45:3, pages 357-375.
Crossref
Crossref
Lun Yang, Ke-Jian Wang, Li-Shan Wang, Anil G. Jegga, Sheng-Ying Qin, Guang He, Jian Chen, Yue Xiao & Lin He. (2011) Chemical-protein interactome and its application in off-target identification. Interdisciplinary Sciences: Computational Life Sciences 3:1, pages 22-30.
Crossref
Crossref
John A. Allen & Bryan L. Roth. (2011) Strategies to Discover Unexpected Targets for Drugs Active at G Protein–Coupled Receptors. Annual Review of Pharmacology and Toxicology 51:1, pages 117-144.
Crossref
Crossref
David Lagorce, Christelle Reynes, Anne‐Claude Camproux, Maria A. Miteva, Olivier Sperandio & Bruno O. Villoutreix. 2011. ADMET for Medicinal Chemists. ADMET for Medicinal Chemists
29
124
.
Michael N. Gwynn, Alison Portnoy, Stephen F. Rittenhouse & David J. Payne. (2010) Challenges of antibacterial discovery revisited. Annals of the New York Academy of Sciences 1213:1, pages 5-19.
Crossref
Crossref
Andrew J. Woodhead, Hayley Angove, Maria G. Carr, Gianni Chessari, Miles Congreve, Joseph E. Coyle, Jose Cosme, Brent Graham, Philip J. Day, Robert Downham, Lynsey Fazal, Ruth Feltell, Eva Figueroa, Martyn Frederickson, Jonathan Lewis, Rachel McMenamin, Christopher W. Murray, M. Alistair O’Brien, Lina Parra, Sahil Patel, Theresa Phillips, David C. Rees, Sharna Rich, Donna-Michelle Smith, Gary Trewartha, Mladen Vinkovic, Brian Williams & Alison J.-A. Woolford. (2010) Discovery of (2,4-Dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design. Journal of Medicinal Chemistry 53:16, pages 5956-5969.
Crossref
Crossref
Elisabetta Poluzzi, Emanuel Raschi, Domenico Motola, Ugo Moretti & Fabrizio De Ponti. (2010) Antimicrobials and the Risk of Torsades de Pointes. Drug Safety 33:4, pages 303-314.
Crossref
Crossref
Roger C. Barr, Loren W. Nolte & Andrew E. Pollard. (2010) Bayesian Quantitative Electrophysiology and Its Multiple Applications in Bioengineering. IEEE Reviews in Biomedical Engineering 3, pages 155-168.
Crossref
Crossref
Gui-Rong Li & Ming-Qing Dong. 2010. Cardiovascular Pharmacology - Heart and Circulation. Cardiovascular Pharmacology - Heart and Circulation
93
134
.