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Virtual discovery of melatonin receptor ligands to modulate circadian rhythms.

Stein RM, Kang HJ, McCorvy JD, Glatfelter GC, Jones AJ, Che T, Slocum S, Huang XP, Savych O, Moroz YS, Stauch B, Johansson LC, Cherezov V, Kenakin T, Irwin JJ, Shoichet BK, Roth BL, Dubocovich ML.

Nature. 2020 Feb 10. doi: 10.1038/s41586-020-2027-0. [Epub ahead of print]


Conformational plasticity of ligand-bound and ternary GPCR complexes studied by 19F NMR of the β1-adrenergic receptor.

Frei JN, Broadhurst RW, Bostock MJ, Solt A, Jones AJY, Gabriel F, Tandale A, Shrestha B, Nietlispach D.

Nat Commun. 2020 Feb 3;11(1):669. doi: 10.1038/s41467-020-14526-3.


Raynaud's Phenomenon From PD-1 Immune Checkpoint Inhibition.

Kim H, Jones AJ, Labadzhyan A, Placencio-Hickok VR, Wallace DJ, Gong J, Hendifar AE.

J Oncol Pract. 2019 Dec 2:JOP1900333. doi: 10.1200/JOP.19.00333. [Epub ahead of print] No abstract available.


Examining Predisposing Factors and Program Performance Indicators Associated With Program Completion: A Comparison of Opioid and Non-Opioid-Preferring Participants in Drug Court.

Shannon LM, Jones AJ, Newell J, Nichols E.

Int J Offender Ther Comp Criminol. 2019 Aug 1:306624X19866130. doi: 10.1177/0306624X19866130. [Epub ahead of print]


Interactive molecular dynamics in virtual reality from quantum chemistry to drug binding: An open-source multi-person framework.

O'Connor MB, Bennie SJ, Deeks HM, Jamieson-Binnie A, Jones AJ, Shannon RJ, Walters R, Mitchell TJ, Mulholland AJ, Glowacki DR.

J Chem Phys. 2019 Jun 14;150(22):220901. doi: 10.1063/1.5092590.


Rapid point-of-care detection and classification of direct-acting oral anticoagulants with the TEG 6s: Implications for trauma and acute care surgery.

Dias JD, Lopez-Espina CG, Ippolito J, Hsiao LH, Zaman F, Muresan AA, Thomas SG, Walsh M, Jones AJ, Grisoli A, Thurston BC, Artang R, Bilden KP, Hartmann J, Achneck HE.

J Trauma Acute Care Surg. 2019 Aug;87(2):364-370. doi: 10.1097/TA.0000000000002357.


Early Results of Irreversible Electroporation (IRE) for Tumor Ablation in Soft Tissue Tumors.

Walsh N, Jones AJ, Gable JK, Mentzer CJ, Bishop JL, Kruse EJ.

Am Surg. 2018 Nov 1;84(11):e445-e447. No abstract available.


Design, Synthesis, and Biological Evaluation of 2-Nitroimidazopyrazin-one/-es with Antitubercular and Antiparasitic Activity.

Jarrad AM, Ang CW, Debnath A, Hahn HJ, Woods K, Tan L, Sykes ML, Jones AJ, Pelingon R, Butler MS, Avery VM, West NP, Karoli T, Blaskovich MAT, Cooper MA.

J Med Chem. 2018 Dec 27;61(24):11349-11371. doi: 10.1021/acs.jmedchem.8b01578. Epub 2018 Dec 11.


Clinical and epidemiological factors associated with suicide in colorectal cancer.

Pham TT, Talukder AM, Walsh NJ, Lawson AG, Jones AJ, Bishop JL, Kruse EJ.

Support Care Cancer. 2019 Feb;27(2):617-621. doi: 10.1007/s00520-018-4354-3. Epub 2018 Jul 20.


Systematic review of the evidence for sustained efficacy of dietary interventions for reducing appetite or energy intake.

Halford JCG, Masic U, Marsaux CFM, Jones AJ, Lluch A, Marciani L, Mars M, Vinoy S, Westerterp-Plantenga M, Mela DJ.

Obes Rev. 2018 Oct;19(10):1329-1339. doi: 10.1111/obr.12712. Epub 2018 Jun 25.


Mapping the Complete Reaction Path of a Complex Photochemical Reaction.

Smith AD, Warne EM, Bellshaw D, Horke DA, Tudorovskya M, Springate E, Jones AJH, Cacho C, Chapman RT, Kirrander A, Minns RS.

Phys Rev Lett. 2018 May 4;120(18):183003. doi: 10.1103/PhysRevLett.120.183003.


Small and Low but Potent: the Complex Regulatory Role of the Small RNA SolB in Solventogenesis in Clostridium acetobutylicum.

Jones AJ, Fast AG, Clupper M, Papoutsakis ET.

Appl Environ Microbiol. 2018 Jul 2;84(14). pii: e00597-18. doi: 10.1128/AEM.00597-18. Print 2018 Jul 15.


Examining Individual Characteristics and Program Performance to Understand Two-Year Recidivism Rates Among Drug Court Participants: Comparing Graduates and Terminators.

Shannon LM, Jones AJ, Newell J, Payne C.

Int J Offender Ther Comp Criminol. 2018 Oct;62(13):4196-4220. doi: 10.1177/0306624X18769602. Epub 2018 Apr 30.


Deleting the IF1-like ζ subunit from Paracoccus denitrificans ATP synthase is not sufficient to activate ATP hydrolysis.

Varghese F, Blaza JN, Jones AJY, Jarman OD, Hirst J.

Open Biol. 2018 Jan;8(1). pii: 170206. doi: 10.1098/rsob.170206.


Demographic and clinical factors associated with suicide in gastric cancer in the United States.

Bowden MB, Walsh NJ, Jones AJ, Talukder AM, Lawson AG, Kruse EJ.

J Gastrointest Oncol. 2017 Oct;8(5):897-901. doi: 10.21037/jgo.2017.08.02. Review.


Correlating kinetic and structural data on ubiquinone binding and reduction by respiratory complex I.

Fedor JG, Jones AJY, Di Luca A, Kaila VRI, Hirst J.

Proc Natl Acad Sci U S A. 2017 Nov 28;114(48):12737-12742. doi: 10.1073/pnas.1714074114. Epub 2017 Nov 13.


The Impact of Antithrombin III Use in Achieving Anticoagulant Goals in Pediatric Patients.

Jones AJ, O'Mara KL, Kelly BJ, Samraj RS.

J Pediatr Pharmacol Ther. 2017 Sep-Oct;22(5):320-325. doi: 10.5863/1551-6776-22.5.320.


Using Hyperfine Electron Paramagnetic Resonance Spectroscopy to Define the Proton-Coupled Electron Transfer Reaction at Fe-S Cluster N2 in Respiratory Complex I.

Le Breton N, Wright JJ, Jones AJY, Salvadori E, Bridges HR, Hirst J, Roessler MM.

J Am Chem Soc. 2017 Nov 15;139(45):16319-16326. doi: 10.1021/jacs.7b09261. Epub 2017 Nov 3.


Screening a Natural Product-Based Library against Kinetoplastid Parasites.

Zulfiqar B, Jones AJ, Sykes ML, Shelper TB, Davis RA, Avery VM.

Molecules. 2017 Oct 12;22(10). pii: E1715. doi: 10.3390/molecules22101715.


Screening the Medicines for Malaria Venture Pathogen Box across Multiple Pathogens Reclassifies Starting Points for Open-Source Drug Discovery.

Duffy S, Sykes ML, Jones AJ, Shelper TB, Simpson M, Lang R, Poulsen SA, Sleebs BE, Avery VM.

Antimicrob Agents Chemother. 2017 Aug 24;61(9). pii: e00379-17. doi: 10.1128/AAC.00379-17. Print 2017 Sep.


Caregiver burden is increased in Parkinson's disease with mild cognitive impairment (PD-MCI).

Jones AJ, Kuijer RG, Livingston L, Myall D, Horne K, MacAskill M, Pitcher T, Barrett PT, Anderson TJ, Dalrymple-Alford JC.

Transl Neurodegener. 2017 Jun 19;6:17. doi: 10.1186/s40035-017-0085-5. eCollection 2017.


Examining implementation and preliminary performance indicators of veterans treatment courts: The Kentucky experience.

Shannon LM, Birdwhistell S, Hulbig SK, Jones AJ, Newell J, Payne C.

Eval Program Plann. 2017 Aug;63:54-66. doi: 10.1016/j.evalprogplan.2017.03.003. Epub 2017 Mar 11.


Respiratory Complex I in Bos taurus and Paracoccus denitrificans Pumps Four Protons across the Membrane for Every NADH Oxidized.

Jones AJ, Blaza JN, Varghese F, Hirst J.

J Biol Chem. 2017 Mar 24;292(12):4987-4995. doi: 10.1074/jbc.M116.771899. Epub 2017 Feb 7.


A regional audit of high-flow nasal cannula therapy use for bronchiolitis in London district general hospitals.

Jones AJ, Mathew S, Wong SW, Patel M, Equi A, Sukhani S, Nambiar S, Ramnarayan P.

Arch Dis Child. 2017 Mar;102(3):296-297. doi: 10.1136/archdischild-2016-312462. Epub 2017 Jan 24. No abstract available.


Biological characterization of chemically diverse compounds targeting the Plasmodium falciparum coenzyme A synthesis pathway.

Fletcher S, Lucantoni L, Sykes ML, Jones AJ, Holleran JP, Saliba KJ, Avery VM.

Parasit Vectors. 2016 Nov 17;9(1):589.


Erratum to "Profiling the anti-protozoal activity of anti-cancer HDAC inhibitors against Plasmodium and Trypanosoma parasites" [Int. J. Parasitol. Drugs Drug Res. 5 (2015) 117-126].

Engel JA, Jones AJ, Avery VM, Sumanadasa SDM, Ng SS, Fairlie DP, Skinner-Adams T, Andrews KT.

Int J Parasitol Drugs Drug Resist. 2016 Dec;6(3):287. doi: 10.1016/j.ijpddr.2016.05.001. Epub 2016 May 30. No abstract available.


Hit-to-Lead Optimization of a Novel Class of Potent, Broad-Spectrum Trypanosomacides.

Russell S, Rahmani R, Jones AJ, Newson HL, Neilde K, Cotillo I, Rahmani Khajouei M, Ferrins L, Qureishi S, Nguyen N, Martinez-Martinez MS, Weaver DF, Kaiser M, Riley J, Thomas J, De Rycker M, Read KD, Flematti GR, Ryan E, Tanghe S, Rodriguez A, Charman SA, Kessler A, Avery VM, Baell JB, Piggott MJ.

J Med Chem. 2016 Nov 10;59(21):9686-9720. Epub 2016 Sep 19.


Overexpression of two stress-responsive, small, non-coding RNAs, 6S and tmRNA, imparts butanol tolerance in Clostridium acetobutylicum.

Jones AJ, Venkataramanan KP, Papoutsakis T.

FEMS Microbiol Lett. 2016 Apr;363(8). pii: fnw063. doi: 10.1093/femsle/fnw063. Epub 2016 Mar 16.


The impact and efficacy of routine pulse oximetry screening for CHD in a local hospital.

Jones AJ, Howarth C, Nicholl R, Mat-Ali E, Knowles R.

Cardiol Young. 2016 Oct;26(7):1397-405. doi: 10.1017/S1047951115002784. Epub 2016 Feb 24.


Quantitative carbon detector for enhanced detection of molecules in foods, pharmaceuticals, cosmetics, flavors, and fuels.

Beach CA, Krumm C, Spanjers CS, Maduskar S, Jones AJ, Dauenhauer PJ.

Analyst. 2016 Mar 7;141(5):1627-32. doi: 10.1039/c5an02552d.


Identification and Characterization of FTY720 for the Treatment of Human African Trypanosomiasis.

Jones AJ, Kaiser M, Avery VM.

Antimicrob Agents Chemother. 2015 Dec 14;60(3):1859-61. doi: 10.1128/AAC.02116-15.


A Self-Assembled Respiratory Chain that Catalyzes NADH Oxidation by Ubiquinone-10 Cycling between Complex I and the Alternative Oxidase.

Jones AJ, Blaza JN, Bridges HR, May B, Moore AL, Hirst J.

Angew Chem Int Ed Engl. 2016 Jan 11;55(2):728-31. doi: 10.1002/anie.201507332. Epub 2015 Nov 23.


Future treatment options for human African trypanosomiasis.

Jones AJ, Avery VM.

Expert Rev Anti Infect Ther. 2015;13(12):1429-32. doi: 10.1586/14787210.2015.1094374. Epub 2015 Sep 28.


6-Arylpyrazine-2-carboxamides: A New Core for Trypanosoma brucei Inhibitors.

Rahmani R, Ban K, Jones AJ, Ferrins L, Ganame D, Sykes ML, Avery VM, White KL, Ryan E, Kaiser M, Charman SA, Baell JB.

J Med Chem. 2015 Sep 10;58(17):6753-65. doi: 10.1021/acs.jmedchem.5b00438. Epub 2015 Aug 30.


Profiling the anti-protozoal activity of anti-cancer HDAC inhibitors against Plasmodium and Trypanosoma parasites.

Engel JA, Jones AJ, Avery VM, Sumanadasa SD, Ng SS, Fairlie DP, Skinner-Adams T, Andrews KT.

Int J Parasitol Drugs Drug Resist. 2015 Jun 20;5(3):117-26. doi: 10.1016/j.ijpddr.2015.05.004. eCollection 2015 Dec. Erratum in: Int J Parasitol Drugs Drug Resist. 2016 Dec;6(3):287. Adams, Tina S [corrected to Skinner-Adams, Tina].


Evidence for bystander signalling between human trophoblast cells and human embryonic stem cells.

Jones AJ, Gokhale PJ, Allison TF, Sampson B, Athwal S, Grant S, Andrews PW, Allen ND, Case CP.

Sci Rep. 2015 Jul 14;5:11694. doi: 10.1038/srep11694.


Design and Synthesis of a Screening Library Using the Natural Product Scaffold 3-Chloro-4-hydroxyphenylacetic Acid.

Kumar R, Sadowski MC, Levrier C, Nelson CC, Jones AJ, Holleran JP, Avery VM, Healy PC, Davis RA.

J Nat Prod. 2015 Apr 24;78(4):914-8. doi: 10.1021/np500856u. Epub 2015 Mar 24.


Multi-Drug Resistance ABC Transporter Inhibition Enhances Murine Ventral Prostate Stem/Progenitor Cell Differentiation.

Samant MD, Jackson CM, Felix CL, Jones AJ, Goodrich DW, Foster BA, Huss WJ.

Stem Cells Dev. 2015 May 15;24(10):1236-51. doi: 10.1089/scd.2014.0293. Epub 2015 Feb 25.


Kinetic evidence against partitioning of the ubiquinone pool and the catalytic relevance of respiratory-chain supercomplexes.

Blaza JN, Serreli R, Jones AJ, Mohammed K, Hirst J.

Proc Natl Acad Sci U S A. 2014 Nov 4;111(44):15735-40. doi: 10.1073/pnas.1413855111. Epub 2014 Oct 20.


Kinetic, spectroscopic, and theoretical assessment of associative and dissociative methanol dehydration routes in zeolites.

Jones AJ, Iglesia E.

Angew Chem Int Ed Engl. 2014 Nov 3;53(45):12177-81. doi: 10.1002/anie.201406823. Epub 2014 Sep 11.


Effects of metformin and other biguanides on oxidative phosphorylation in mitochondria.

Bridges HR, Jones AJ, Pollak MN, Hirst J.

Biochem J. 2014 Sep 15;462(3):475-87. doi: 10.1042/BJ20140620.


Pyridyl benzamides as a novel class of potent inhibitors for the kinetoplastid Trypanosoma brucei.

Ferrins L, Gazdik M, Rahmani R, Varghese S, Sykes ML, Jones AJ, Avery VM, White KL, Ryan E, Charman SA, Kaiser M, Bergström CA, Baell JB.

J Med Chem. 2014 Aug 14;57(15):6393-402. doi: 10.1021/jm500191u. Epub 2014 Jul 17.


Facile Synthesis and Preliminary Structure-Activity Analysis of New Sulfonamides Against Trypanosoma brucei.

Rashad AA, Jones AJ, Avery VM, Baell J, Keller PA.

ACS Med Chem Lett. 2014 Mar 10;5(5):496-500. doi: 10.1021/ml400487t. eCollection 2014 May 8.


When pneumonia does not respond to antibiotics: a challenging neonatal diagnosis.

Jones AJ, Starling LD, Keith T, Nicholl R, Seale AN.

Arch Dis Child Educ Pract Ed. 2014 Dec;99(6):221-30. doi: 10.1136/archdischild-2013-304193. Epub 2014 May 16. Review. No abstract available.


Trypanocidal activity of marine natural products.

Jones AJ, Grkovic T, Sykes ML, Avery VM.

Mar Drugs. 2013 Oct 22;11(10):4058-82. doi: 10.3390/md11104058. Review.


A spectrophotometric coupled enzyme assay to measure the activity of succinate dehydrogenase.

Jones AJ, Hirst J.

Anal Biochem. 2013 Nov 1;442(1):19-23. doi: 10.1016/j.ab.2013.07.018. Epub 2013 Jul 22.


3-(Oxazolo[4,5-b]pyridin-2-yl)anilides as a novel class of potent inhibitors for the kinetoplastid Trypanosoma brucei, the causative agent for human African trypanosomiasis.

Ferrins L, Rahmani R, Sykes ML, Jones AJ, Avery VM, Teston E, Almohaywi B, Yin J, Smith J, Hyland C, White KL, Ryan E, Campbell M, Charman SA, Kaiser M, Baell JB.

Eur J Med Chem. 2013 Aug;66:450-65. doi: 10.1016/j.ejmech.2013.05.007. Epub 2013 May 16.


Whole-organism high-throughput screening against Trypanosoma brucei brucei.

Jones AJ, Avery VM.

Expert Opin Drug Discov. 2013 May;8(5):495-507. doi: 10.1517/17460441.2013.783816. Epub 2013 Mar 31. Review.


A guide for integration of proteomic data standards into laboratory workflows.

Medina-Aunon JA, Krishna R, Ghali F, Albar JP, Jones AJ.

Proteomics. 2013 Feb;13(3-4):480-92. doi: 10.1002/pmic.201200268. Epub 2013 Jan 15. Review.


A clue to the diagnosis of TAPVD.

Jones AJ, Zieba K, Starling L, Longman J.

BMJ Case Rep. 2012 May 11;2012. pii: bcr1220115400. doi: 10.1136/bcr.12.2011.5400.

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