Mitigating heterocycle metabolism in drug discovery

May 10, 2005·Clinical Gastroenterology and Hepatology : the Official Clinical Practice Journal of the American Gastroenterological Association·Alaa RostomLoren Laine

A comprehensive listing of bioactivation pathways of organic functional groups

Jun 25, 2005·Current Drug Metabolism·Amit S KalgutkarShawn P Harriman

Discovery of N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide, an agonist of the alpha7 nicotinic acetylcholine receptor, for the potential treatment of cognitive deficits in schizophrenia: synthesis and structure--activity relationship

Jul 11, 2006·Journal of Medicinal Chemistry·Donn G WishkaBruce N Rogers

Meloxicam in rheumatoid arthritis

Jul 26, 2006·Expert Opinion on Drug Metabolism & Toxicology·Mansoor AhmedDaniel E Furst

Minimising the potential for metabolic activation in drug discovery

Aug 23, 2006·Expert Opinion on Drug Metabolism & Toxicology·Amit S Kalgutkar, John R Soglia

Novel C-5 aminomethyl pyrrolotriazine dual inhibitors of EGFR and HER2 protein tyrosine kinases

Mar 21, 2007·Bioorganic & Medicinal Chemistry Letters·Harold MastalerzGuifen Zhang

Use of density functional calculations to predict the regioselectivity of drugs and molecules metabolized by aldehyde oxidase

Aug 28, 2007·Journal of Medicinal Chemistry·Rhonda A TorresJeffrey P Jones

A rational chemical intervention strategy to circumvent bioactivation liabilities associated with a nonpeptidyl thrombopoietin receptor agonist containing a 2-amino-4-arylthiazole motif

Oct 16, 2007·Chemical Research in Toxicology·Amit S KalgutkarSharon L Ripp

Metabolite identification via LC-SPE-NMR-MS of the in vitro biooxidation products of a lead mGlu5 allosteric antagonist and impact on the improvement of metabolic stability in the series

Nov 13, 2007·ChemMedChem·Simona M CeccarelliEric Vieira

The SAR studies of novel CB2 selective agonists, benzimidazolone derivatives

Apr 29, 2008·Bioorganic & Medicinal Chemistry Letters·Hirofumi OmuraKazuo Ando

Role of biotransformation studies in minimizing metabolism-related liabilities in drug discovery.

May 1, 2008·The AAPS Journal·Yue-Zhong ShuTian J Yang

In vitro metabolism and covalent binding of enol-carboxamide derivatives and anti-inflammatory agents sudoxicam and meloxicam: insights into the hepatotoxicity of sudoxicam

Aug 19, 2008·Chemical Research in Toxicology·R Scott ObachGregory S Walker

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.

Sep 18, 2008·Bioorganic & Medicinal Chemistry Letters·Peter S DragovichYuefen Zhou

Optimization of a series of potent and selective ketone histone deacetylase inhibitors

Sep 24, 2008·Bioorganic & Medicinal Chemistry Letters·Giovanna PescatorePhilip Jones

Novel and orally active 5-(1,3,4-oxadiazol-2-yl)pyrimidine derivatives as selective FLT3 inhibitors

Oct 7, 2008·Bioorganic & Medicinal Chemistry Letters·Hiroshi IshidaHitoshi Arai

Lead optimization of 4-acetylamino-2-(3,5-dimethylpyrazol-1-yl)-6-pyridylpyrimidines as A2A adenosine receptor antagonists for the treatment of Parkinson's disease

Oct 25, 2008·Journal of Medicinal Chemistry·Xiaohu ZhangDebora H Slee

Novel 3,3-disubstituted pyrrolidines as selective triple serotonin/norepinephrine/dopamine reuptake inhibitors

Oct 29, 2008·Bioorganic & Medicinal Chemistry Letters·Linda M BannwartYansheng Zhai

Studies on a series of potent, orally bioavailable, 5-HT(1) receptor ligands--part II

Dec 17, 2008·Bioorganic & Medicinal Chemistry Letters·Simon E WardPaul A Wyman

Potent and selective inhibitors of Helicobacter pylori glutamate racemase (MurI): pyridodiazepine amines

Dec 23, 2008·Bioorganic & Medicinal Chemistry Letters·Bolin GengTomas Lundqvist

1-Amido-1-phenyl-3-piperidinylbutanes - CCR5 antagonists for the treatment of HIV. Part 1

Jan 28, 2009·Bioorganic & Medicinal Chemistry Letters·Christopher G BarberKerry A Paradowski

ChEMBL. An interview with John Overington, team leader, chemogenomics at the European Bioinformatics Institute Outstation of the European Molecular Biology Laboratory (EMBL-EBI). Interview by Wendy A. Warr.

Feb 6, 2009·Journal of Computer-aided Molecular Design·John Overington

Design of novel aminopyrrolidine factor Xa inhibitors from a screening hit

Feb 10, 2009·European Journal of Medicinal Chemistry·Katrin Groebke ZbindenWolfgang Haap

7-Sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists: hit-to-lead optimization

Mar 10, 2009·Bioorganic & Medicinal Chemistry Letters·Paul V FishLee R Roberts

Optimisation of a series of potent, selective and orally bioavailable GlyT1 inhibitors

Mar 26, 2009·Bioorganic & Medicinal Chemistry Letters·Joanne L ThomsonRichard T Lewis

5-hydroxyindole-2-carboxylic acid amides: novel histamine-3 receptor inverse agonists for the treatment of obesity

May 22, 2009·Journal of Medicinal Chemistry·Pascale David PiersonRuby Wiegand

Orally active C-6 heteroaryl- and heterocyclyl-substituted imidazo[1,2-a]pyridine acid pump antagonists (APAs)

May 27, 2009·Bioorganic & Medicinal Chemistry Letters·Nick BaileyAndrew K Takle

Discovery of a potent and orally active hedgehog pathway antagonist (IPI-926)

Jun 16, 2009·Journal of Medicinal Chemistry·Martin R TremblayAlfredo C Castro

In vitro intrinsic clearance-based optimization of N3-phenylpyrazinones as corticotropin-releasing factor-1 (CRF1) receptor antagonists

Jun 26, 2009·Journal of Medicinal Chemistry·Richard A HartzJohn E Macor

Synthesis, structure-activity relationships, and in vivo evaluation of N3-phenylpyrazinones as novel corticotropin-releasing factor-1 (CRF1) receptor antagonists

Jun 26, 2009·Journal of Medicinal Chemistry·Richard A HartzJohn E Macor

Efficacious 11beta-hydroxysteroid dehydrogenase type I inhibitors in the diet-induced obesity mouse model

Aug 14, 2009·Journal of Medicinal Chemistry·Zhao-Kui WanEddine Saiah

Spiropiperidine CCR5 antagonists

Aug 14, 2009·Bioorganic & Medicinal Chemistry Letters·David M RotsteinCheng-I Mau

Structure-activity relationship study of EphB3 receptor tyrosine kinase inhibitors.

Sep 29, 2009·Bioorganic & Medicinal Chemistry Letters·Lixin QiaoGregory D Cuny

The design of potent and selective inhibitors of DPP-4: optimization of ADME properties by amide replacements

Oct 17, 2009·Bioorganic & Medicinal Chemistry Letters·Sonja NordhoffAchim Feurer

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Citations

Mastering tricyclic ring systems for desirable functional cannabinoid activity

Oct 16, 2013·European Journal of Medicinal Chemistry·Ravil R PetrovPhilippe Diaz

Complementation of biotransformations with chemical C-H oxidation: copper-catalyzed oxidation of tertiary amines in complex pharmaceuticals

Jul 24, 2013·Journal of the American Chemical Society·Julien GenovinoB Barry Touré

Evaluating the differences in cycloalkyl ether metabolism using the design parameter "lipophilic metabolism efficiency" (LipMetE) and a matched molecular pairs analysis

Jul 28, 2013·Journal of Medicinal Chemistry·Antonia F StepanMartin Edwards

Synthesis of chromeno[2,3-d]imidazol-9(1H)-ones via tandem reactions of 3-iodochromones with amidines involving copper-catalyzed C-H functionalization and C-O bond formation

Aug 16, 2013·Organic Letters·Jia ShengYouhong Hu

Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles

Jan 11, 2014·Journal of Medicinal Chemistry·David J St JeanClarence Hale

Benzothiazoles exhibit broad-spectrum antitumor activity: their potency, structure-activity and structure-metabolism relationships

Mar 1, 2014·European Journal of Medicinal Chemistry·Xilei XieGang Liu

Strategies for a comprehensive understanding of metabolism by aldehyde oxidase

Dec 13, 2012·Expert Opinion on Drug Metabolism & Toxicology·James Matthew HutzlerMichael A Zientek

Compound high-quality criteria: a new vision to guide the development of drugs, current situation

Jan 24, 2016·Drug Discovery Today·Serge MignaniJean-Pierre Majoral

Design, synthesis and Structure-activity relationship studies of new thiazole-based free fatty acid receptor 1 agonists for the treatment of type 2 diabetes

Mar 6, 2016·European Journal of Medicinal Chemistry·Zheng LiHai Qian

Identification of N-Oxide and Sulfoxide Functionalities in Protonated Drug Metabolites by Using Ion-Molecule Reactions Followed by Collisionally Activated Dissociation in a Linear Quadrupole Ion Trap Mass Spectrometer

Dec 15, 2015·The Journal of Organic Chemistry·Huaming ShengHilkka I Kenttamaa

Discovery and Structure-Guided Optimization of Diarylmethanesulfonamide Disrupters of Glucokinase-Glucokinase Regulatory Protein (GK-GKRP) Binding: Strategic Use of a N → S (nN → σ*S-X) Interaction for Conformational Constraint

Nov 10, 2015·Journal of Medicinal Chemistry·Lewis D PenningtonDavid J St Jean

Discovery of N-(4-Fluoro-3-methoxybenzyl)-6-(2-(((2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl)methyl)-2H-tetrazol-5-yl)-2-methylpyrimidine-4-carboxamide. A Highly Selective and Orally Bioavailable Matrix Metalloproteinase-13 Inhibitor for the Potential Treatment of Osteoarthritis

Dec 15, 2015·Journal of Medicinal Chemistry·Peter G RuminskiMark E Schnute

Matched molecular pair analysis in drug discovery

Apr 6, 2013·Drug Discovery Today·Alexander G DossetterAndrew G Leach

Two Scalable Syntheses of (S)-2-Methylazetidine

Feb 20, 2016·The Journal of Organic Chemistry·Matthew S DowlingAaron C Smith

Improving Drug Design: An Update on Recent Applications of Efficiency Metrics, Strategies for Replacing Problematic Elements, and Compounds in Nontraditional Drug Space

Mar 15, 2016·Chemical Research in Toxicology·Nicholas A Meanwell

Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12)

Oct 3, 2015·Journal of Medicinal Chemistry·Snahel PatelJoseph W Lewcock

Metabolism-guided discovery of a potent and orally bioavailable urea-based calcimimetic for the treatment of secondary hyperparathyroidism

Nov 13, 2013·Bioorganic & Medicinal Chemistry Letters·Paul M WehnSarah E Lively

Designing novel building blocks is an overlooked strategy to improve compound quality

Oct 5, 2014·Drug Discovery Today·Frederick W GoldbergNick P Tomkinson

Balancing potency, metabolic stability and permeability in pyrrolopyrimidine-based EGFR inhibitors

Sep 12, 2016·European Journal of Medicinal Chemistry·Jin HanBård Helge Hoff

Oxetanes: Recent Advances in Synthesis, Reactivity, and Medicinal Chemistry

Sep 16, 2016·Chemical Reviews·James A BullKate F Morgan

7-Substituted 2-Nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazines: Novel Antitubercular Agents Lead to a New Preclinical Candidate for Visceral Leishmaniasis

May 2, 2017·Journal of Medicinal Chemistry·Andrew M ThompsonWilliam A Denny

Discovery of substituted lactams as novel dual orexin receptor antagonists. Synthesis, preliminary structure-activity relationship studies and efforts towards improved metabolic stability and pharmacokinetic properties. Part 1

Jan 23, 2014·Bioorganic & Medicinal Chemistry Letters·Thierry SifferlenChristoph Boss

The Isoxazole Ring and Its N-Oxide: A Privileged Core Structure in Neuropsychiatric Therapeutics

Mar 3, 2017·ChemMedChem·George N PairasGeorge Varvounis

CO2-promoted oxidative cross-coupling reaction for C-S bond formation via masked strategy in an odourless way

May 30, 2015·Chemical Communications : Chem Comm·Zongjun QiaoXuefeng Jiang

Modern advances in heterocyclic chemistry in drug discovery

Jun 11, 2016·Organic & Biomolecular Chemistry·Alexandria P TaylorOlugbeminiyi Fadeyi

Pharmaceuticals that contain polycyclic hydrocarbon scaffolds

Jul 15, 2015·Chemical Society Reviews·Tegan P Stockdale, Craig M Williams

Access to a new class of synthetic building blocks via trifluoromethoxylation of pyridines and pyrimidines

Nov 20, 2016·Chemical Science·Pengju FengMing-Yu Ngai

Saturated bioisosteres of benzene: where to go next?

Jan 24, 2019·Organic & Biomolecular Chemistry·Pavel K Mykhailiuk

Improving animal models for nervous system disorders

May 15, 2012·Genes, Brain, and Behavior·R E Brown

Biotransformation and bioactivation reactions - 2018 literature highlights

Jun 7, 2019·Drug Metabolism Reviews·S Cyrus KhojastehDonglu Zhang

Investigations into the mechanisms of pyridine ring cleavage in vismodegib

Jan 7, 2014·Drug Metabolism and Disposition : the Biological Fate of Chemicals·S Cyrus KhojastehHarvey Wong

AJS1669, a novel small-molecule muscle glycogen synthase activator, improves glucose metabolism and reduces body fat mass in mice

Mar 16, 2017·International Journal of Molecular Medicine·Kazuhiro NakanoTadakiyo Nakagawa

Functionalized azetidines via visible light-enabled aza Paternò-Büchi reactions

Nov 11, 2019·Nature Communications·Marc R BeckerCorinna S Schindler

The renaissance of strained 1-azabicyclo[1.1.0]butanes as useful reagents for the synthesis of functionalized azetidines

Jul 21, 2020·Organic & Biomolecular Chemistry·Michael AndresiniRenzo Luisi

Enantioselective Synthesis of Oxetanes Bearing All-Carbon Quaternary Stereocenters via Iridium-Catalyzed C-C Bond-Forming Transfer Hydrogenation

Jan 1, 2017·Chemistry : a European Journal·Yi-An GuoMichael J Krische

Synthesis of azetidines via visible-light-mediated intermolecular [2+2] photocycloadditions.

Sep 25, 2020·Nature Chemistry·Marc R BeckerCorinna S Schindler

Synthesis and biological evaluation of novel farnesylthiosalicylic acid derivatives for cancer treatment

Jan 18, 2014·Archiv der Pharmazie·Yong LingWei Zhang

Cutting-Edge Search for Safer Opioid Pain Relief: Retrospective Review of Salvinorin A and Its Analogs

Apr 12, 2019·Frontiers in Psychiatry·Jordan K ZjawionyJames O Fajemiroye

Synthesis of azetidines by aza Paternò-Büchi reactions.

Aug 25, 2020·Chemical Science·Alistair D RichardsonCorinna S Schindler

Are 1,4- and 1,5-disubstituted 1,2,3-triazoles good pharmacophoric groups?

Aug 1, 2014·ChemMedChem·Alberto MassarottiGian Cesare Tron

3-Cyanoallyl boronates are versatile building blocks in the synthesis of polysubstituted thiophenes

Sep 25, 2017·Chemical Science·Wenjie ShaoAndrei K Yudin

Meloxicam methyl group determines enzyme specificity for thiazole bioactivation compared to sudoxicam.

Dec 1, 2020·Toxicology Letters·Dustyn A BarnetteGrover P Miller

Scaffold-hopping as a strategy to address metabolic liabilities of aromatic compounds.

Dec 16, 2019·RSC Medicinal Chemistry·Phillip R Lazzara, Terry W Moore

Divergent, Strain-Release Reactions of Azabicyclo[1.1.0]butyl Carbinols: Semipinacol or Spiroepoxy Azetidine Formation.

Feb 9, 2021·Angewandte Chemie·Charlotte H U GregsonVarinder K Aggarwal

Development of BET inhibitors as potential treatments for cancer: A search for structural diversity.

May 16, 2021·Bioorganic & Medicinal Chemistry Letters·Matthew D HillAndrew P Degnan

Radical cascade synthesis of azoles via tandem hydrogen atom transfer.

Jan 31, 2020·Chemical Science·Andrew D ChenDavid A Nagib

Discovery of Pemigatinib: A Potent and Selective Fibroblast Growth Factor Receptor (FGFR) Inhibitor.

Jul 17, 2021·Journal of Medicinal Chemistry·Liangxing WuWenqing Yao

Improving Druggability of Novel Diarylpyrimidine NNRTIs by a Fragment-Based Replacement Strategy: From Biphenyl-DAPYs to Heteroaromatic-Biphenyl-DAPYs.

Jul 2, 2021·Journal of Medicinal Chemistry·Li DingFen-Er Chen

Development of a Continuous Flow Synthesis of 2-Substituted Azetines and 3-Substituted Azetidines by Using a Common Synthetic Precursor.

Jul 23, 2021·The Journal of Organic Chemistry·Marco ColellaRenzo Luisi

1-Aminomethyl SAR in a novel series of flavagline-inspired eIF4A inhibitors: Effects of amine substitution on cell potency and in vitro PK properties.

Aug 7, 2021·Bioorganic & Medicinal Chemistry Letters·Christian NilewskiSiegfried H Reich

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