Atenolol

Papers

Atenolol depresses post-ischaemic recovery in the isolated rat heart. Allibardi, S., et al. Pharmacol. Res. 39, 431, (1999)

---

β-blocker selectivity at cloned human β₁- and β₂-adrenergic receptors. Smith. C., Teitler, M. Cardiovasc. Drugs Ther. 13, 123, (1999)

---

The effects of (±)-, (+)-, and (−)-atenolol, sotalol, and amosulalol on the rat left atria and portal vein. Doggrell, S.A. Chirality 5, 8-14, (1993)

---

Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk). Giulia Caron et al J. Med. Chem. 48, 3269-79, (2005)

---

Exploring the role of different drug transport routes in permeability screening. Pär Matsson et al J. Med. Chem. 48, 604-13, (2005)

---

2-n-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine and analogues as A2A adenosine receptor antagonists. Design, synthesis, and pharmacological characterization. Patrizia Minetti et al J. Med. Chem. 48, 6887-96, (2005)

---

Synthesis and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B2) for the treatment of congestive heart failure and myocardial fibrosis. Marieke Voets et al J. Med. Chem. 49, 2222-31, (2006)

---

Multiple N-methylation by a designed approach enhances receptor selectivity. Jayanta Chatterjee et al J. Med. Chem. 50, 5878-81, (2007)

---

In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. Giorgio Ottaviani et al J. Med. Chem. 50, 742-8, (2007)

---

Transdermal penetration behaviour of drugs: CART-clustering, QSPR and selection of model compounds. Bram Baert et al Bioorg. Med. Chem. 15, 6943-55, (2007)

---

Chemical genetics reveals a complex functional ground state of neural stem cells Diamandis, P., et. al. Nat. Chem. Biol. 3(5), 268-273, (2007)

---

Backbone cyclic peptidomimetic melanocortin-4 receptor agonist as a novel orally administrated drug lead for treating obesity. Shmuel Hess et al J. Med. Chem. 51, 1026-34, (2008)

---

Characterization of the drug binding specificity of rat liver fatty acid binding protein. Sara Chuang et al J. Med. Chem. 51, 3755-64, (2008)

---

Identification of a potent, selective, and orally active leukotriene a4 hydrolase inhibitor with anti-inflammatory activity. Cheryl A Grice et al J. Med. Chem. 51, 4150-69, (2008)

---

Determination of log D via automated microfluidic liquid-liquid extraction. Muhammad Alimuddin et al J. Med. Chem. 51, 5140-2, (2008)

---

Structural requirements for drug inhibition of the liver specific human organic cation transport protein 1. Gustav Ahlin et al J. Med. Chem. 51, 5932-42, (2008)

---

Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1). Emmanuel Bey et al J. Med. Chem. 51, 6725-39, (2008)

---

Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors. Lourdes Santana et al J. Med. Chem. 51, 6740-51, (2008)

---

cis-4-(Piperazin-1-yl)-5,6,7a,8,9,10,11,11a-octahydrobenzofuro[2,3-h]quinazolin-2-amine (A-987306), a new histamine H4R antagonist that blocks pain responses against carrageenan-induced hyperalgesia. Huaqing Liu et al J. Med. Chem. 51, 7094-8, (2008)

---

Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones: Part 4. Optimization of DMPK properties. Maria V Sergeeva et al Bioorg. Med. Chem. Lett. 18, 3421-6, (2008)

---

Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 3: Further optimization of the 2-, 6-, and 7'-substituents and initial pharmacokinetic assessments. Lian-Sheng Li et al Bioorg. Med. Chem. Lett. 18, 3446-55, (2008)

---

Pyrrolo[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Frank Ruebsam et al Bioorg. Med. Chem. Lett. 18, 3616-21, (2008)

---

Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase. Sun Hee Kim et al Bioorg. Med. Chem. Lett. 18, 4181-5, (2008)

---

4-(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-ones as potent inhibitors of HCV NS5B polymerase. David A Ellis et al Bioorg. Med. Chem. Lett. 18, 4628-32, (2008)

---

Hexahydro-pyrrolo- and hexahydro-1H-pyrido[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. F. Ruebsam, et al., Bioorg. Med. Chem. Lett. 18, 5002-5005, (2008)

---

Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents. Peter S Dragovich et al Bioorg. Med. Chem. Lett. 18, 5635-9, (2008)

---

Air to lung partition coefficients for volatile organic compounds and blood to lung partition coefficients for volatile organic compounds and drugs. Michael H Abraham et al Eur. J. Med. Chem. 43, 478-85, (2008)

---

Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds. R Scott Obach et al Drug Metab. Dispos. 36, 1385-405, (2008)

---

Tacripyrines, the first tacrine-dihydropyridine hybrids, as multitarget-directed ligands for the treatment of Alzheimer's disease. José Marco-Contelles et al J. Med. Chem. 52, 2724-32, (2009)

---

Lipophilicity of basic drugs measured by hydrophilic interaction chromatography. Bruno Bard et al J. Med. Chem. 52, 3416-9, (2009)

---

Physicochemical determinants of human renal clearance. Manthena V S Varma et al J. Med. Chem. 52, 4844-52, (2009)

---

Structure-brain exposure relationships in rat and human using a novel data set of unbound drug concentrations in brain interstitial and cerebrospinal fluids. Markus Fridén et al J. Med. Chem. 52, 6233-43, (2009)

---

Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as therapeutic agents against schistosomiasis. Ganesha Rai et al J. Med. Chem. 52, 6474-83, (2009)

---

Pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione derivatives: their cytoprotection effect from rotenone toxicity and preliminary DMPK properties. Yuefen Zhou et al Bioorg. Med. Chem. Lett. 19, 6114-8, (2009)

---

Design, synthesis and pharmacological screening of novel antihypertensive agents using hybrid approach. Shashikant V Bhandari et al Bioorg. Med. Chem. 17, 390-400, (2009)

---

Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Lei Du-Cuny et al Bioorg. Med. Chem. 17, 6983-92, (2009)

---

Guide to Receptors and Channels (GRAC), 4th Edition. Br. J. Pharmacol. 158 Suppl 1, S1-254, (2009)

---

Prediction of volume of distribution values in human using immobilized artificial membrane partitioning coefficients, the fraction of compound ionized and plasma protein binding data. Xiaofan Sui et al Eur. J. Med. Chem. 44, 4455-60, (2009)

---

Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination. Manthena V S Varma et al J. Med. Chem. 53, 1098-108, (2010)

---

How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? Alex Avdeef et al J. Med. Chem. 53, 3566-84, (2010)

---

Property based optimization of ?-lactam HDAC inhibitors for metabolic stability. Hong Chul Yoon et al Bioorg. Med. Chem. Lett. 20, 6808-11, (2010)

---

Development of an in silico model for human skin permeation based on a Franz cell skin permeability assay. Pil H Lee et al Bioorg. Med. Chem. Lett. 20, 69-73, (2010)

---

Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species. Francisco J Prado-Prado et al Bioorg. Med. Chem. 18, 2225-31, (2010)

---

Discovery of {1-[4-(2-{hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl}-1H-benzimidazol-1-yl)piperidin-1-yl]cyclooctyl}methanol, systemically potent novel non-peptide agonist of nociceptin/orphanin FQ receptor as analgesic for the treatment of neuropathic pain: design, synthesis, and structure-activity relationships. Shigeo Hayashi et al Bioorg. Med. Chem. 18, 7675-99, (2010)

---

Developing structure-activity relationships for the prediction of hepatotoxicity. Nigel Greene et al Chem. Res. Toxicol. 23, 1215-22, (2010)

---

Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species. Denis Fourches et al Chem. Res. Toxicol. 23, 171-83, (2010)

---

Neural computational prediction of oral drug absorption based on CODES 2D descriptors. A Guerra et al Eur. J. Med. Chem. 45, 930-40, (2010)

---

A predictive ligand-based Bayesian model for human drug-induced liver injury. Sean Ekins et al Drug Metab. Dispos. 38, 2302-8, (2010)

---

Tryptophan 2,3-dioxygenase (TDO) inhibitors. 3-(2-(pyridyl)ethenyl)indoles as potential anticancer immunomodulators. Dolusic, E.; et al. J. Med. Chem. 54, 5320, (2011)

---

Structure and property based design, synthesis and biological evaluation of ?-lactam based HDAC inhibitors. Eunhyun Choi et al Bioorg. Med. Chem. Lett. 21, 1218-21, (2011)

---

Anti-resorptive activity and pharmacokinetic study of N(1),N(1)-diisopropyl-N(2)-(diphenylphosphoryl)-2-(4-nitrophenyl)acetamidine. Myung Hee Kim et al Bioorg. Med. Chem. Lett. 21, 4263-6, (2011)

---

Effects of C7 substitutions in a high affinity microtubule-binding taxane on antitumor activity and drug transport. Xi Xiao et al Bioorg. Med. Chem. Lett. 21, 4852-6, (2011)

---

QSAR-based permeability model for drug-like compounds. Rafael Gozalbes et al Bioorg. Med. Chem. 19, 2615-24, (2011)

---

Imidazo[1,2-a]pyridin-3-amines as potential HIV-1 non-nucleoside reverse transcriptase inhibitors. Moira L Bode et al Bioorg. Med. Chem. 19, 4227-37, (2011)

---

Prediction of drug intestinal absorption by new linear and non-linear QSPR. Alan Talevi et al Eur. J. Med. Chem. 46, 218-28, (2011)

---

Translating Clinical Findings into Knowledge in Drug Safety Evaluation - Drug Induced Liver Injury Prediction System (DILIps). Zhichao Liu et al PLoS Comput. Biol. 7, e1002310, (2011)

---

Neuroprotective efficacy of quinazoline type phosphodiesterase 7 inhibitors in cellular cultures and experimental stroke model. Miriam Redondo et al Eur. J. Med. Chem. 47, 175-85, (2012)

---

A small chemical library of 2-aminoimidazole derivatives as BACE-1 inhibitors: Structure-based design, synthesis, and biological evaluation. Gianpaolo Chiriano et al Eur. J. Med. Chem. 48, 206-13, (2012)

---

Activated cranial cervical cord neurons affect left ventricular infarct size and the potential for sudden cardiac death Southerland, E.M., et al. Auton. Neurosci. 169(1), 34-42, (2012)

---

Merck 14,859