Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1
Lipinski, Christopher A, Lombardo, Franco, Dominy, Beryl W, Feeney, Paul J·2001·Advanced Drug Delivery Reviews
Cited by (1,077)
Items 501–600 of 1,077
- Quantifying the chameleonic properties of macrocycles and other high-molecular-weight drugsAdrian Whitty, Mengqi Zhong, Lauren A. Viarengo‐Baker, Dmitri Beglov, David R. Hall, Sándor Vajda · 2016 · Drug Discovery Today
- Features of protein–protein interactions that translate into potent inhibitors: topology, surface area and affinityMatthew C. P. Smith, Jason E. Gestwicki · 2012 · Expert Reviews in Molecular Medicine
- On the nature of cavities on protein surfaces: Application to the identification of drug‐binding sitesMurad Nayal, Barry H. Honig · 2006 · Proteins Structure Function and Bioinformatics
- Pharmaceutical applications of cyclodextrins: effects on drug permeation through biological membranesÞorsteinn Loftsson, Marcus Eli Brewster · 2011 · Journal of Pharmacy and Pharmacology
- Novel Chemical Space Exploration via Natural ProductsJosefin Rosén, Johan Gottfries, Sorel Mureşan, Anders Backlund, Tudor Ionel Oprea · 2009 · Journal of Medicinal Chemistry
- Drugs as materials: valuing physical form in drug discoveryColin R. Gardner, Christopher T. Walsh, Örn Almarsson · 2004 · Nature Reviews Drug Discovery
- Quantitative structure-activity relationship methods: Perspectives on drug discovery and toxicologyRoger Perkins, Hong Fang, Weida Tong, William Jeffrey Welsh · 2003 · Environmental Toxicology and Chemistry
- Mesoporous silica materials: From physico-chemical properties to enhanced dissolution of poorly water-soluble drugsAziz Maleki, Hélène Kettiger, Aurélie Schoubben, Jessica M. Rosenholm, Valeria Ambrogi, Mehrdad Hamidi · 2017 · Journal of Controlled Release
- Chemical modification: the key to clinical application of RNA interference?David R. Corey · 2007 · Journal of Clinical Investigation
- Cocrystals of Hydrochlorothiazide: Solubility and Diffusion/Permeability Enhancements through Drug–Coformer InteractionsPalash Sanphui, Vemula Kusum Devi, Deepa Clara, Nidhi Malviya, Somnath Ganguly, Gautam Radhakrishna Desiraju · 2015 · Molecular Pharmaceutics
- Antibiotic Hybrids: the Next Generation of Agents and Adjuvants against Gram-Negative Pathogens?Ronald Domalaon, Temilolu Idowu, George G. Zhanel, Frank Schweizer · 2018 · Clinical Microbiology Reviews
- The Druggable Genome: Evaluation of Drug Targets in Clinical Trials Suggests Major Shifts in Molecular Class and IndicationRask-Andersen, Mathias, Masuram, Surendar, Schiöth, Helgi B. · 2014 · Annual Review of Pharmacology and Toxicology
- Diversity-oriented synthesis; a spectrum of approaches and resultsRichard J. Spandl, Andreas Bender, David R. Spring · 2008 · Organic & Biomolecular Chemistry
- Predicting ADME properties in silico: methods and modelsDarko Butina, Matthew Segall, Katrina E. Frankcombe · 2002 · Drug Discovery Today
- Oxidative Stress and Antioxidants—A Critical Review on In Vitro Antioxidant AssaysRaghavendhar R. Kotha, Fakir Shahidullah Tareq, Elif Yıldız, Devanand L. Luthria · 2022 · Antioxidants
- Profiling drug-like properties in discovery researchLi Di, Edward H. Kerns · 2003 · Current Opinion in Chemical Biology
- High-throughput screening for inhibitors of Mycobacterium tuberculosis H37RvSubramaniam Ananthan, Ellen R. Faaleolea, Robert C. Goldman, Judith Varady Hobrath, Cecil D. Kwong, Barbara E. Laughon, Joseph A. Maddry, Alka Mehta, Lynn A. Rasmussen, Robert C. Reynolds et al. · 2009 · Tuberculosis
- Assessing drug-likeness – what are we missing?Giulio Vistoli, Alessandro Pedretti, Bernard Testa · 2008 · Drug Discovery Today
- Transdermal drug delivery: 30 + years of war and still fighting!Sandra Wiedersberg, Richard H. Guy · 2014 · Journal of Controlled Release
- When Quality Beats Quantity: Decision Theory, Drug Discovery, and the Reproducibility CrisisScannell, Jack W., Bosley, Jim · 2016 · PLOS ONE
- Prospects for productivityBruce L Booth, Rodney W. Zemmel · 2004 · Nature Reviews Drug Discovery
- FAF-Drugs3: a web server for compound property calculation and chemical library designDavid Lagorce, Olivier Spérandio, Jonathan B. Baell, Maria A. Miteva, Bruno O. Villoutreix · 2015 · Nucleic Acids Research
- Can cell systems biology rescue drug discovery?Eugene C. Butcher · 2005 · Nature Reviews Drug Discovery
- The structural modification of natural products for novel drug discoveryHong Yao, Junkai Liu, Shengtao Xu, Zheying Zhu, Jinyi Xu · 2016 · Expert Opinion on Drug Discovery
- Natural products as a robust source of new drugs and drug leads: Past successes and present day issuesRishton, Gilbert M. · 2008 · The American Journal of Cardiology
- Cell culture-based models for intestinal permeability: A critiquePraveen V. Balimane, Saeho Chong · 2005 · Drug Discovery Today
- Screening in a spirit haunted worldBrian K. Shoichet · 2006 · Drug Discovery Today
- Computational analysis of calculated physicochemical and ADMET properties of protein-protein interaction inhibitorsDavid Lagorce, Dominique Douguet, Maria A. Miteva, Bruno O. Villoutreix · 2017 · Scientific Reports
- Late-stage Functionalization for Improving Drug-like Molecular PropertiesNathan J. Castellino, Andrew P. Montgomery, Jonathan J. Danon, Michael Kassiou · 2023 · Chemical Reviews
- The SHAPES strategy: an NMR-based approach for lead generation in drug discoveryJasna Fejzo, Christopher A. Lepre, Jeffrey W. Peng, Guy W. Bemis, Ajay, Mark A. Murcko, Jonathan M. Moore · 1999 · Chemistry & Biology
- Apolipoprotein (apo) E4 enhances amyloid β peptide production in cultured neuronal cells: ApoE structure as a potential therapeutic targetYe, Shiming, Huang, Yadong, Müllendorff, Karin, Dong, Liming, Giedt, Gretchen, Meng, Elaine C., Cohen, Fred E., Kuntz, Irwin D., Weisgraber, Karl H., Mahley, Robert W. · 2005 · Proceedings of the National Academy of Sciences
- The Concept of an Ideal Antibiotic: Implications for Drug DesignMárió Gajdács · 2019 · Molecules
- Designing antibodies as therapeuticsPaul J. Carter, Arvind Rajpal · 2022 · Cell
- Chemical Space of DNA-Encoded LibrariesRaphael M. Franzini, Cassie Randolph · 2016 · Journal of Medicinal Chemistry
- Progress in predicting human ADME parameters in silicoSean Ekins, Chris L. Waller, Peter W. Swaan, Gabriele Cruciani, Steven A. Wrighton, James H. Wikel · 2000 · Journal of Pharmacological and Toxicological Methods
- Soluble Extract from Moringa oleifera Leaves with a New Anticancer ActivityIl Lae Jung · 2014 · PLoS ONE
- Structure-Based Identification of Small-Molecule Angiotensin-Converting Enzyme 2 Activators as Novel Antihypertensive AgentsJ.A. Hernandez Prada, Anderson Jose Ferreira, Michael J. Katovich, Vinayak Shenoy, Yanfei Qi, Robson A.S. Santos, Ronald K. Castellano, Andrew J. Lampkins, Vladimir Gubala, David A. Ostrov et al. · 2008 · Hypertension
- Discovery and development of telaprevir: an NS3-4A protease inhibitor for treating genotype 1 chronic hepatitis C virusAnn D. Kwong, Robert S. Kauffman, Patricia N. Hurter, Peter Mueller · 2011 · Nature Biotechnology
- Current status and future prospects of nanotechnology in cosmeticsAlbert Mihranyan, Natália Ferraz, Maria Strømme · 2011 · Progress in Materials Science
- Ordered Mesoporous Silica Material SBA-15: A Broad-Spectrum Formulation Platform for Poorly Soluble DrugsMichiel Van Speybroeck, Valéry Barillaro, Thao Do Thi, Randy Mellaerts, Johan A. Martens, Jan Van Humbeeck, Jan Vermant, Pieter Annaert, Guy Van den Mooter, Patrick Augustijns · 2008 · Journal of Pharmaceutical Sciences
- Current perspectives on selective dopamine D3 receptor antagonists as pharmacotherapeutics for addictions and related disordersC. Heidbreder, A. H. Newman · 2010 · Annals of the New York Academy of Sciences
- Pathways for Small Molecule Delivery to the Central Nervous System across the Blood-Brain BarrierJohn L. Mikitsh, Ann‐Marie Chacko · 2014 · Perspectives in Medicinal Chemistry
- Major advances in targeted protein degradation: PROTACs, LYTACs, and MADTACsShanique B. Alabi, Craig M. Crews · 2021 · Journal of Biological Chemistry
- Therapeutic target database update 2016: enriched resource for bench to clinical drug target and targeted pathway informationHong Jun Yang, Qin Chu, Yinghong Li, Lin Tao, Jin Zhou, Chun Yan Yu, Feng Xu, Zhe Chen, Feng Zhu, Yu Chen · 2015 · Nucleic Acids Research
- The Light and Dark Sides of Virtual Screening: What Is There to Know?Aleix Gimeno, María José Ojeda, Sarah Tomas‐Hernández, Adrià Cereto‐Massagué, Raúl Beltrán‐Debón, Miquel Mulero, Gerard Pujadas, Santiago Garcı́a-Vallvé · 2019 · International Journal of Molecular Sciences
- Challenges in Modern Drug Discovery: A Case Study of Boceprevir, an HCV Protease Inhibitor for the Treatment of Hepatitis C Virus InfectionF. George Njoroge, Kevin X. Chen, Neng‐Yang Shih, John J. Piwinski · 2008 · Accounts of Chemical Research
- Predictive in silico modeling for hERG channel blockersAlex M. Aronov · 2005 · Drug Discovery Today
- Sanjeevini: a freely accessible web-server for target directed lead molecule discoveryBhyravabhotla Jayaram, Tanya Singh, Goutam Mukherjee, Abhinav Mathur, Shashank Shekhar, Vandana Shekhar · 2012 · BMC Bioinformatics
- A small-molecule screen in C. elegans yields a new calcium channel antagonistTrevor C. Y. Kwok, Nicole Ricker, Regina Fraser, Allen W. Chan, Andrew R. Burns, Elise F. Stanley, Peter McCourt, Sean R. Cutler, Peter John Roy · 2006 · Nature
- Quantitative Analysis of Molecular Absorption into PDMS Microfluidic ChannelsJack D. Wang, Nicholas J. Douville, Shuichi Takayama, Mohamed E. H. ElSayed · 2012 · Annals of Biomedical Engineering
- N-Substituted Pyrrole Derivatives as Novel Human Immunodeficiency Virus Type 1 Entry Inhibitors That Interfere with the gp41 Six-Helix Bundle Formation and Block Virus FusionShibo Jiang, Hong Lü, Shuwen Liu, Qian Zhao, Yuxian He, Asim Kumar Debnath · 2004 · Antimicrobial Agents and Chemotherapy
- Bioavailability issues in studying the health effects of plant polyphenolic compoundsChung Shu Yang, Shengmin Sang, Joshua D. Lambert, Mao‐Jung Lee · 2008 · Molecular Nutrition & Food Research
- Break on through to the Other Side—Biophysics and Cell Biology Shed Light on Cell‐Penetrating PeptidesRainer Fischer, Mariola Fotin‐Mleczek, Hansjörg Hufnagel, Roland E. Brock · 2005 · ChemBioChem
- Glutathione-Responsive Prodrug Nanoparticles for Effective Drug Delivery and Cancer TherapyXiang Ling, Jiasheng Tu, Junqing Wang, Aram Shajii, Na Kong, Chan Feng, Ye Zhang, Mikyung Yu, Tian Xie, Zameer Bharwani et al. · 2018 · ACS Nano
- FAF-Drugs2: Free ADME/tox filtering tool to assist drug discovery and chemical biology projectsDavid Lagorce, Olivier Spérandio, Hervé Galons, Maria A. Miteva, Bruno O. Villoutreix · 2008 · BMC Bioinformatics
- Chemogenomic approaches to rational drug designDidier Rognan · 2007 · British Journal of Pharmacology
- Design of small molecules that target metal-Aβ species and regulate metal-induced Aβ aggregation and neurotoxicityChoi, Jung-Suk, Braymer, Joseph J., Nanga, Ravi P. R., Ramamoorthy, Ayyalusamy, Lim, Mi Hee · 2010 · Proceedings of the National Academy of Sciences
- New old challenges in tuberculosis: Potentially effective nanotechnologies in drug deliveryAlejandro Sosnik, Angel Montero Carcaboso, Romina Julieta Glisoni, Marcela Analia Moretton, Diego A. Chiappetta · 2009 · Advanced Drug Delivery Reviews
- Fluorescence Spectroscopic Profiling of Compound LibrariesAnton M. Simeonov, Ajit Jadhav, Craig J. Thomas, Yuhong Wang, Ruili Huang, Noel T Southall, Paul Shinn, Jeremy A. Smith, Christopher P. Austin, Douglas S. Auld et al. · 2008 · Journal of Medicinal Chemistry
- BitterDB: a database of bitter compoundsAyana Dagan‐Wiener, Marina Shudler, Anat Levit, Masha Y. Niv · 2011 · Nucleic Acids Research
- Systemic delivery of peptides by the oral route: Formulation and medicinal chemistry approachesDavid J. Brayden, Timothy A. Hill, David P. Fairlie, Sam Maher, Randall J. Mrsny · 2020 · Advanced Drug Delivery Reviews
- Targeted and multifunctional arene ruthenium chemotherapeuticsGregory Stuart Smith, Bruno Therrien · 2011 · Dalton Transactions
- Inhibition of protein–protein interactions using designed moleculesAndrew John Wilson · 2009 · Chemical Society Reviews
- Artemisone—A Highly Active Antimalarial Drug of the Artemisinin ClassRichard Kingston Haynes, Burkhard Fugmann, Jörg Stetter, Karl H. Rieckmann, Hans‐Dietrich Heilmann, Ho‐Wai Chan, Man‐Ki Cheung, William W.‐L. Lam, Ho Ning Wong, Simon L. Croft et al. · 2006 · Angewandte Chemie International Edition
- A review of the pharmaceutical exposome in aquatic faunaThomas H. Miller, Nicolas R. Bury, Stewart F. Owen, James I. MacRae, Leon Barron · 2018 · Environmental Pollution
- Structural Simplification of Natural ProductsShengzheng Wang, Guoqiang Dong, Chunquan Sheng · 2019 · Chemical Reviews
- Modification of physicochemical characteristics of active pharmaceutical ingredients and application of supersaturatable dosage forms for improving bioavailability of poorly absorbed drugsKohsaku Kawakami · 2012 · Advanced Drug Delivery Reviews
- Multispecific drugs herald a new era of biopharmaceutical innovationRaymond J. Deshaies · 2020 · Nature
- Intestinal Permeability and Drug Absorption: Predictive Experimental, Computational and In Vivo ApproachesDavid Dahlgren, Hans Lennernäs · 2019 · Pharmaceutics
- A Perspective on Multi-target Drugs for Alzheimer’s DiseaseBenek, Ondrej, Korabecny, Jan, Soukup, Ondrej · 2020 · Trends in Pharmacological Sciences
- Getting physical in drug discovery: a contemporary perspective on solubility and hydrophobicityAlan P. Hill, Robert J. Young · 2010 · Drug Discovery Today
- Strong and weak hydrogen bonds in the protein–ligand interfaceSunil K. Panigrahi, Gautam Radhakrishna Desiraju · 2007 · Proteins Structure Function and Bioinformatics
- De novo branching cascades for structural and functional diversity in small moleculesM. García-Castro, Lea Kremer, Christopher D. Reinkemeier, Christian Unkelbach, Carsten Strohmann B, Slava Ziegler, Claude Ostermann, Kamal Kumar · 2015 · Nature Communications
- ElogP oct : A Tool for Lipophilicity Determination in Drug DiscoveryFranco Lombardo, Marina Y. Shalaeva, Karl A. Tupper, Feng Gao, Michael H. Abraham · 2000 · Journal of Medicinal Chemistry
- Ligand efficiency as a guide in fragment hit selection and optimizationSabine Schultes, Chris de Graaf, Eric E. J. Haaksma, Iwan J. P. de Esch, Rob Leurs, Oliver Krämer · 2010 · Drug Discovery Today Technologies
- Pharmaceutical Cocrystals: New Solid Phase Modification Approaches for the Formulation of APIsAnna Karagianni, Maria Malamatari, Kyriakos Kachrimanis · 2018 · Pharmaceutics
- pH-Metric Solubility. 2: Correlation Between the Acid-Base Titration and the Saturation Shake-Flask Solubility-pH MethodsAlex Avdeef, Cynthia M. Berger, Charles R. Brownell · 2000 · Pharmaceutical Research
- Flavonoid interactions during digestion, absorption, distribution and metabolism: a sequential structure–activity/property relationship-based approach in the study of bioavailability and bioactivityGerard Bryan Gonzales, Guy J. Smagghe, Charlotte Grootaert, Moisés João Zotti, Katleen Raes, John Van Camp · 2015 · Drug Metabolism Reviews
- A Win–Win Solution in Oral Delivery of Lipophilic Drugs: Supersaturation via Amorphous Solid Dispersions Increases Apparent Solubility without Sacrifice of Intestinal Membrane PermeabilityJonathan M. Miller, Avital Beig, Robert A. Carr, Julie K. Spence, Arik Dahan · 2012 · Molecular Pharmaceutics
- Early pharmaceutical profiling to predict oral drug absorption: Current status and unmet needsChristel A. S. Bergström, René Holm, Søren Astrup Jørgensen, Sara B. E. Andersson, Per Artursson, Stefania Beato, Anders Borde, Karl J. Box, Marcus Eli Brewster, Jennifer Dressman et al. · 2013 · European Journal of Pharmaceutical Sciences
- Discovery of Inhibitors that Elucidate the Role of UCH-L1 Activity in the H1299 Lung Cancer Cell LineYichin Liu, Hilal Ahmed Lashuel, Sungwoon Choi, Xuechao Xing, April W. Case, Jake Ni, Li-An Yeh, Gregory D. Cuny, Ross L. Stein, Peter T. Lansbury · 2003 · Chemistry & Biology
- Virtual drug discovery and development for neglected diseases through public–private partnershipsSolomon Nwaka, Robert G. Ridley · 2003 · Nature Reviews Drug Discovery
- Solubilization of hydrophobic drugs by methoxy poly(ethylene glycol)-block-polycaprolactone diblock copolymer micelles: theoretical and experimental data and correlationsLetchford, Kevin, Liggins, Richard, Burt, Helen · 2008 · Journal of Pharmaceutical Sciences
- Pharmaceuticals that contain polycyclic hydrocarbon scaffoldsTegan P. Stockdale, Craig M. Williams · 2015 · Chemical Society Reviews
- The graphical representation of ADME-related molecule properties for medicinal chemistsTimothy J. Ritchie, Peter Ertl, Richard A. Lewis · 2010 · Drug Discovery Today
- Current industrial practices of assessing permeability and P-glycoprotein interactionPraveen V. Balimane, Yong–Hae Han, Saeho Chong · 2006 · The AAPS Journal
- Hit discovery and hit-to-lead approachesGyörgy Miklós Keserű, Gergely M. Makara · 2006 · Drug Discovery Today
- Separation methods for estimating octanol–water partition coefficientsSalwa K. Poole, Colin F. Poole · 2003 · Journal of Chromatography B
- Drugs versus bugs: in pursuit of the persistent predator Mycobacterium tuberculosisJames C. Sacchettini, Eric J. Rubin, Joel S. Freundlich · 2007 · Nature Reviews Microbiology
- Systemic Availability and Lymphatic Transport of Human Growth Hormone Administered by Subcutaneous InjectionSusan A. Charman, Alicia M. Segrave, Glenn Anthony Edwards, Christopher J. H. Porter · 2000 · Journal of Pharmaceutical Sciences
- Copper-related diseases: From chemistry to molecular pathologyGuido Crisponi, Valeria Marina Nurchi, Daniela Fanni, Clara Gerosa, Sonia Nemolato, Gavino Faa · 2009 · Coordination Chemistry Reviews
- DOGS: Reaction-Driven de novo Design of Bioactive CompoundsHartenfeller, Markus, Zettl, Heiko, Walter, Miriam, Rupp, Matthias, Reisen, Felix, Proschak, Ewgenij, Weggen, Sascha, Stark, Holger, Schneider, Gisbert · 2012 · PLoS Computational Biology
- Integrating virtual screening in lead discoveryTudor Ionel Oprea, Hans Matter · 2004 · Current Opinion in Chemical Biology
- Systems Pharmacology for Investigation of the Mechanisms of Action of Traditional Chinese Medicine in Drug DiscoveryWenjuan Zhang, Ying Huai, Zhiping Miao, Airong Qian, Yonghua Wang · 2019 · Frontiers in Pharmacology
- Network Pharmacology Prediction and Molecular Docking-Based Strategy to Discover the Potential Pharmacological Mechanism of Huai Hua San Against Ulcerative ColitisJiaqin Liu, Jian Liu, Xiaoliang Tong, Weijun Peng, Shanshan Wei, Taoli Sun, Yikun Wang, Bikui Zhang, Wenqun Li · 2021 · Drug Design Development and Therapy
- Protein-Ligand Docking in the New Millennium – A Retrospective of 10 Years in the FieldSérgio Filipe Sousa, António J. M. Ribeiro, João T. S. Coimbra, Rui P. P. Neves, Sílvia A. Martins, N. S. Hari Narayana Moorthy, Pedro Alexandrino Fernandes, Maria João Ramos · 2013 · Current Medicinal Chemistry
- Natural phytochemicals and probiotics as bioactive ingredients for functional foods: Extraction, biochemistry and protected-delivery technologiesBeatriz Vieira da Silva, João C.M. Barreira, M. Beatriz P.P. Oliveira · 2016 · Trends in Food Science & Technology
- Metal complexes for therapeutic applicationsJohannes Karges, Ryjul W. Stokes, Seth M. Cohen · 2021 · Trends in Chemistry
- Blood–Brain Barrier in Brain Tumors: Biology and Clinical RelevanceFrancesca Mo, Alessia Pellerino, Riccardo Soffietti, Roberta Rudà · 2021 · International Journal of Molecular Sciences
- Optimising proteolysis-targeting chimeras (PROTACs) for oral drug delivery: a drug metabolism and pharmacokinetics perspectiveAndy Pike, Beth Williamson, Stephanie Harlfinger, Scott W. Martin, Dermot F. McGinnity · 2020 · Drug Discovery Today