Adrian Whitty - Publications

Chemistry GRS Boston University, Boston, MA, United States 
Biochemistry, General Biophysics, Molecular Biology

70 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Ortet PC, Muellers SN, Viarengo-Baker LA, Streu K, Szymczyna BR, Beeler AB, Allen KN, Whitty A. Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning. Journal of the American Chemical Society. PMID 33683866 DOI: 10.1021/jacs.0c09799  0.32
2019 Zhong M, Lynch AJ, Muellers SN, Jehle S, Luo L, Hall DR, Iwase R, Carolan JP, Egbert M, Wakefield A, Streu K, Harvey CM, Ortet PC, Kozakov D, Vajda S, ... ... Whitty A, et al. Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-associated Protein 1 (KEAP1) and Nuclear Factor, Erythroid 2 Like 2 (Nrf2). Biochemistry. PMID 31851823 DOI: 10.1021/Acs.Biochem.9B00943  0.32
2019 Shaffer R, DeMaria AH, Kagermazova L, Liu Y, Babaei M, Penix S, Cervantes A, Jehle S, Makowski L, Gilmore TD, Whitty A, Allen KN. A Central Region of NEMO is Required for IKKβ-Induced Conformational Change and for Signal Propagation. Biochemistry. PMID 31145594 DOI: 10.1021/Acs.Biochem.8B01316  0.32
2018 Beglov D, Hall DR, Wakefield AE, Luo L, Allen KN, Kozakov D, Whitty A, Vajda S. Exploring the structural origins of cryptic sites on proteins. Proceedings of the National Academy of Sciences of the United States of America. PMID 29581267 DOI: 10.1073/Pnas.1711490115  0.32
2016 Whitty A, Zhong M, Viarengo L, Beglov D, Hall DR, Vajda S. Quantifying the chameleonic properties of macrocycles and other high-molecular-weight drugs. Drug Discovery Today. PMID 26891978 DOI: 10.1016/J.Drudis.2016.02.005  1
2015 Whitty A. A Particularly Discriminating Receptor. Cell Systems. 1: 14-5. PMID 27135685 DOI: 10.1016/J.Cels.2015.07.004  1
2015 Hall DR, Kozakov D, Whitty A, Vajda S. Lessons from Hot Spot Analysis for Fragment-Based Drug Discovery. Trends in Pharmacological Sciences. 36: 724-36. PMID 26538314 DOI: 10.1016/J.Tips.2015.08.003  1
2015 Vajda S, Whitty A, Kozakov D. Fragments and hot spots in drug discovery. Oncotarget. 6: 18740-1. PMID 26300051 DOI: 10.18632/Oncotarget.4968  1
2015 Kozakov D, Hall DR, Napoleon RL, Yueh C, Whitty A, Vajda S. New Frontiers in Druggability. Journal of Medicinal Chemistry. PMID 26230724 DOI: 10.1021/Acs.Jmedchem.5B00586  1
2015 Whitty A, Zhou L. Horses for courses: reaching outside drug-like chemical space for inhibitors of challenging drug targets. Future Medicinal Chemistry. 7: 1093-5. PMID 26132520 DOI: 10.4155/Fmc.15.56  1
2015 Kozakov D, Hall DR, Jehle S, Luo L, Ochiana SO, Jones EV, Pollastri M, Allen KN, Whitty A, Vajda S. Ligand deconstruction: Why some fragment binding positions are conserved and others are not. Proceedings of the National Academy of Sciences of the United States of America. 112: E2585-94. PMID 25918377 DOI: 10.1073/Pnas.1501567112  1
2015 Yeo AT, Chennamadhavuni S, Whitty A, Porco JA, Gilmore TD. Inhibition of Oncogenic Transcription Factor REL by the Natural Product Derivative Calafianin Monomer 101 Induces Proliferation Arrest and Apoptosis in Human B-Lymphoma Cell Lines. Molecules (Basel, Switzerland). 20: 7474-94. PMID 25915462 DOI: 10.3390/Molecules20057474  1
2015 Li S, Bhave D, Chow JM, Riera TV, Schlee S, Rauch S, Atanasova M, Cate RL, Whitty A. Quantitative analysis of receptor tyrosine kinase-effector coupling at functionally relevant stimulus levels. The Journal of Biological Chemistry. 290: 10018-36. PMID 25635057 DOI: 10.1074/Jbc.M114.602268  1
2015 Kozakov D, Hall DR, Jehle S, Luo L, Ochiana SO, Jones EV, Pollastri M, Allen KN, Whitty A, Vajda S. Correction for "Ligand deconstruction: Why some fragment binding positions are conserved and others are not," Proceedings of the National Academy of Sciences of the United States of America. 112: E3749. DOI: 10.1073/pnas.1511466112  1
2014 Zhou L, Yeo AT, Ballarano C, Weber U, Allen KN, Gilmore TD, Whitty A. Disulfide-mediated stabilization of the IκB kinase binding domain of NF-κB essential modulator (NEMO). Biochemistry. 53: 7929-44. PMID 25400026 DOI: 10.1021/Bi500920N  1
2014 Villar EA, Beglov D, Chennamadhavuni S, Porco JA, Kozakov D, Vajda S, Whitty A. How proteins bind macrocycles. Nature Chemical Biology. 10: 723-31. PMID 25038790 DOI: 10.1038/Nchembio.1584  1
2013 Cote SM, Gilmore TD, Shaffer R, Weber U, Bollam R, Golden MS, Glover K, Herscovitch M, Ennis T, Allen KN, Whitty A. Mutation of nonessential cysteines shows that the NF-κB essential modulator forms a constitutive noncovalent dimer that binds IκB kinase-β with high affinity. Biochemistry. 52: 9141-54. PMID 24266532 DOI: 10.1021/Bi401368R  1
2013 Day ES, Capili AD, Borysenko CW, Zafari M, Whitty A. Determining the affinity and stoichiometry of interactions between unmodified proteins in solution using Biacore. Analytical Biochemistry. 440: 96-107. PMID 23711722 DOI: 10.1016/J.Ab.2013.05.012  1
2013 Golden MS, Cote SM, Sayeg M, Zerbe BS, Villar EA, Beglov D, Sazinsky SL, Georgiadis RM, Vajda S, Kozakov D, Whitty A. Comprehensive experimental and computational analysis of binding energy hot spots at the NF-κB essential modulator/IKKβ protein-protein interface. Journal of the American Chemical Society. 135: 6242-56. PMID 23506214 DOI: 10.1021/Ja400914Z  1
2012 Day ES, Cote SM, Whitty A. Binding efficiency of protein-protein complexes. Biochemistry. 51: 9124-36. PMID 23088250 DOI: 10.1021/Bi301039T  1
2012 Atanasova M, Whitty A. Understanding cytokine and growth factor receptor activation mechanisms. Critical Reviews in Biochemistry and Molecular Biology. 47: 502-30. PMID 23046381 DOI: 10.3109/10409238.2012.729561  1
2012 Zerbe BS, Hall DR, Vajda S, Whitty A, Kozakov D. Relationship between hot spot residues and ligand binding hot spots in protein-protein interfaces. Journal of Chemical Information and Modeling. 52: 2236-44. PMID 22770357 DOI: 10.1021/Ci300175U  1
2011 Kozakov D, Hall DR, Chuang GY, Cencic R, Brenke R, Grove LE, Beglov D, Pelletier J, Whitty A, Vajda S. Structural conservation of druggable hot spots in protein-protein interfaces. Proceedings of the National Academy of Sciences of the United States of America. 108: 13528-33. PMID 21808046 DOI: 10.1073/Pnas.1101835108  1
2011 Whitty A. Growing PAINS in academic drug discovery. Future Medicinal Chemistry. 3: 797-801. PMID 21644825 DOI: 10.4155/Fmc.11.44  1
2011 Singh J, Petter RC, Baillie TA, Whitty A. The resurgence of covalent drugs. Nature Reviews. Drug Discovery. 10: 307-17. PMID 21455239 DOI: 10.1038/Nrd3410  1
2011 Silvian LF, Friedman JE, Strauch K, Cachero TG, Day ES, Qian F, Cunningham B, Fung A, Sun L, Shipps GW, Su L, Zheng Z, Kumaravel G, Whitty A. Small molecule inhibition of the TNF family cytokine CD40 ligand through a subunit fracture mechanism. Acs Chemical Biology. 6: 636-47. PMID 21417339 DOI: 10.1021/Cb2000346  1
2010 di Clemente N, Jamin SP, Lugovskoy A, Carmillo P, Ehrenfels C, Picard JY, Whitty A, Josso N, Pepinsky RB, Cate RL. Processing of anti-mullerian hormone regulates receptor activation by a mechanism distinct from TGF-beta. Molecular Endocrinology (Baltimore, Md.). 24: 2193-206. PMID 20861221 DOI: 10.1210/Me.2010-0273  1
2010 Whitty A, Gelb MH. Critical challenges and emerging paradigms in drug discovery. Current Opinion in Chemical Biology. 14: 437-9. PMID 20621548 DOI: 10.1016/J.Cbpa.2010.06.178  1
2009 Arkin MR, Whitty A. The road less traveled: modulating signal transduction enzymes by inhibiting their protein-protein interactions. Current Opinion in Chemical Biology. 13: 284-90. PMID 19553156 DOI: 10.1016/J.Cbpa.2009.05.125  1
2009 Pollastri MP, Whitty A, Merrill JC, Tang X, Ashton TD, Amar S. Identification and characterization of kava-derived compounds mediating TNF-alpha suppression. Chemical Biology & Drug Design. 74: 121-8. PMID 19538508 DOI: 10.1111/J.1747-0285.2009.00838.X  1
2008 Whitty A. Cooperativity and biological complexity. Nature Chemical Biology. 4: 435-9. PMID 18641616 DOI: 10.1038/Nchembio0808-435  1
2008 Whitty A, Riera TV. New ways to target old receptors. Current Opinion in Chemical Biology. 12: 427-33. PMID 18570899 DOI: 10.1016/J.Cbpa.2008.05.014  1
2008 Whitty A. Small-Molecule Inhibitors of Protein-Protein Interactions: Challenges and Prospects Gene Family Targeted Molecular Design. 199-233. DOI: 10.1002/9780470423936.ch7  1
2007 Dustin ML, Starr T, Coombs D, Majeau GR, Meier W, Hochman PS, Douglass A, Vale R, Goldstein B, Whitty A. Quantification and modeling of tripartite CD2-, CD58FC chimera (alefacept)-, and CD16-mediated cell adhesion. The Journal of Biological Chemistry. 282: 34748-57. PMID 17911103 DOI: 10.1074/Jbc.M705616200  1
2006 Schlee S, Carmillo P, Whitty A. Quantitative analysis of the activation mechanism of the multicomponent growth-factor receptor Ret. Nature Chemical Biology. 2: 636-44. PMID 17013378 DOI: 10.1038/Nchembio823  1
2006 Whitty A, Kumaravel G. Between a rock and a hard place? Nature Chemical Biology. 2: 112-8. PMID 16484997 DOI: 10.1038/nchembio0306-112  1
2006 Cachero TG, Schwartz IM, Qian F, Day ES, Bossen C, Ingold K, Tardivel A, Krushinskie D, Eldredge J, Silvian L, Lugovskoy A, Farrington GK, Strauch K, Schneider P, Whitty A. Formation of virus-like clusters is an intrinsic property of the tumor necrosis factor family member BAFF (B cell activating factor). Biochemistry. 45: 2006-13. PMID 16475789 DOI: 10.1021/Bi051685O  1
2006 Baker DP, Lin EY, Lin K, Pellegrini M, Petter RC, Chen LL, Arduini RM, Brickelmaier M, Wen D, Hess DM, Chen L, Grant D, Whitty A, Gill A, Lindner DJ, et al. N-terminally PEGylated human interferon-beta-1a with improved pharmacokinetic properties and in vivo efficacy in a melanoma angiogenesis model. Bioconjugate Chemistry. 17: 179-88. PMID 16417267 DOI: 10.1021/Bc050237Q  1
2005 He MM, Smith AS, Oslob JD, Flanagan WM, Braisted AC, Whitty A, Cancilla MT, Wang J, Lugovskoy AA, Yoburn JC, Fung AD, Farrington G, Eldredge JK, Day ES, Cruz LA, et al. Small-molecule inhibition of TNF-alpha. Science (New York, N.Y.). 310: 1022-5. PMID 16284179 DOI: 10.1126/Science.1116304  1
2005 Sun D, Whitty A, Papadatos J, Newman M, Donnelly J, Bowes S, Josiah S. Adopting a practical statistical approach for evaluating assay agreement in drug discovery. Journal of Biomolecular Screening. 10: 508-16. PMID 16093560 DOI: 10.1177/1087057105275725  1
2005 Carmillo P, Dagø L, Day ES, Worley DS, Rossomando A, Walus L, Orozco O, Buckley C, Miller S, Tse A, Cate RL, Rosenblad C, Sah DW, Grønborg M, Whitty A. Glial cell line-derived neurotrophic factor (GDNF) receptor alpha-1 (GFR alpha 1) is highly selective for GDNF versus artemin. Biochemistry. 44: 2545-54. PMID 15709767 DOI: 10.1021/Bi049247P  1
2005 Day ES, Cachero TG, Qian F, Sun Y, Wen D, Pelletier M, Hsu YM, Whitty A. Selectivity of BAFF/BLyS and APRIL for binding to the TNF family receptors BAFFR/BR3 and BCMA. Biochemistry. 44: 1919-31. PMID 15697217 DOI: 10.1021/Bi048227K  1
2003 Rawat R, Whitty A, Tonge PJ. The isoniazid-NAD adduct is a slow, tight-binding inhibitor of InhA, the Mycobacterium tuberculosis enoyl reductase: adduct affinity and drug resistance. Proceedings of the National Academy of Sciences of the United States of America. 100: 13881-6. PMID 14623976 DOI: 10.1073/Pnas.2235848100  1
2003 Pelletier M, Thompson JS, Qian F, Bixler SA, Gong D, Cachero T, Gilbride K, Day E, Zafari M, Benjamin C, Gorelik L, Whitty A, Kalled SL, Ambrose C, Hsu YM. Comparison of soluble decoy IgG fusion proteins of BAFF-R and BCMA as antagonists for BAFF. The Journal of Biological Chemistry. 278: 33127-33. PMID 12796483 DOI: 10.1074/Jbc.M305754200  1
2002 Day ES, Osborn L, Whitty A. Effect of divalent cations on the affinity and selectivity of alpha4 integrins towards the integrin ligands vascular cell adhesion molecule-1 and mucosal addressin cell adhesion molecule-1: Ca2+ activation of integrin alpha4beta1 confers a distinct ligand specificity. Cell Communication & Adhesion. 9: 205-19. PMID 12699089 DOI: 10.1080/15419060216014  1
2002 Bell AF, Feng Y, Hofstein HA, Parikh S, Wu J, Rudolph MJ, Kisker C, Whitty A, Tonge PJ. Stereoselectivity of enoyl-CoA hydratase results from preferential activation of one of two bound substrate conformers. Chemistry & Biology. 9: 1247-55. PMID 12445775 DOI: 10.1016/S1074-5521(02)00263-6  1
2002 Pepinsky RB, Mumford RA, Chen LL, Leone D, Amo SE, Riper GV, Whitty A, Dolinski B, Lobb RR, Dean DC, Chang LL, Raab CE, Si Q, Hagmann WK, Lingham RB. Comparative assessment of the ligand and metal ion binding properties of integrins alpha9beta1 and alpha4beta1. Biochemistry. 41: 7125-41. PMID 12033947 DOI: 10.1021/bi020024d  1
2002 da Silva AJ, Brickelmaier M, Majeau GR, Lukashin AV, Peyman J, Whitty A, Hochman PS. Comparison of gene expression patterns induced by treatment of human umbilical vein endothelial cells with IFN-alpha 2b vs. IFN-beta 1a: understanding the functional relationship between distinct type I interferons that act through a common receptor. Journal of Interferon & Cytokine Research : the Official Journal of the International Society For Interferon and Cytokine Research. 22: 173-88. PMID 11911800 DOI: 10.1089/107999002753536149  1
2001 Runkel L, De Dios C, Karpusas M, Baker D, Li Z, Zafari M, Betzenhauser M, Muldowney C, Miller S, Redlich PN, Grossberg SE, Whitty A, Hochman PS. Mapping of IFN-beta epitopes important for receptor binding and biologic activation: comparison of results achieved using antibody-based methods and alanine substitution mutagenesis. Journal of Interferon & Cytokine Research : the Official Journal of the International Society For Interferon and Cytokine Research. 21: 931-41. PMID 11747625 DOI: 10.1089/107999001753289541  1
2001 Bromley SK, Iaboni A, Davis SJ, Whitty A, Green JM, Shaw AS, Weiss A, Dustin ML. The immunological synapse and CD28-CD80 interactions. Nature Immunology. 2: 1159-66. PMID 11713465 DOI: 10.1038/Ni737  1
2001 Ling Chen L, Whitty A, Scott D, Lee WC, Cornebise M, Adams SP, Petter RC, Lobb RR, Pepinsky RB. Evidence That Ligand and Metal Ion Binding to Integrin α 4β1 Are Regulated through a Coupled Equilibrium Journal of Biological Chemistry. 276: 36520-36529. PMID 11473127 DOI: 10.1074/Jbc.M106216200  1
2001 Taylor FR, Wen D, Garber EA, Carmillo AN, Baker DP, Arduini RM, Williams KP, Weinreb PH, Rayhorn P, Hronowski X, Whitty A, Day ES, Boriack-Sjodin A, Shapiro RI, Galdes A, et al. Enhanced potency of human Sonic hedgehog by hydrophobic modification Biochemistry. 40: 4359-4371. PMID 11284692 DOI: 10.1021/Bi002487U  1
2000 Nash P, McFadden G, Whitty A. Application of linear free energy relationships to the serpin-proteinase inhibition mechanism Febs Letters. 475: 1-6. PMID 10854846 DOI: 10.1016/S0014-5793(00)01620-3  1
2000 Runkel L, deDios C, Karpusas M, Betzenhauser M, Muldowney C, Zafari M, Benjamin CD, Miller S, Hochman PS, Whitty A. Systematic mutational mapping of sites on human interferon-beta-1a that are important for receptor binding and functional activity. Biochemistry. 39: 2538-51. PMID 10704203 DOI: 10.1021/Bi991631C  1
1999 Majeau GR, Whitty A, Yim K, Meier W, Hochman PS. Low affinity binding of an LFA-3/IgG1 fusion protein to CD2+ T cells is independent of cell activation Cell Adhesion and Communication. 7: 267-279. PMID 10626910 DOI: 10.3109/15419069909010808  1
1999 Day ES, Wen D, Garber EA, Hong J, Avedissian LS, Rayhorn P, Shen W, Zeng C, Bailey VR, Reilly JO, Roden JA, Moore CB, Williams KP, Galdes A, Whitty A, et al. Zinc-dependent structural stability of human sonic hedgehog Biochemistry. 38: 14868-14880. PMID 10555969 DOI: 10.1021/Bi9910068  1
1999 Brickelmaier M, Hochman PS, Baciu R, Chao B, Cuervo JH, Whitty A. ELISA methods for the analysis of antibody responses induced in multiple sclerosis patients treated with recombinant interferon-β Journal of Immunological Methods. 227: 121-135. PMID 10485260 DOI: 10.1016/S0022-1759(99)00073-3  1
1999 Chen LL, Whitty A, Lobb RR, Adams SP, Pepinsky RB. Multiple activation states of integrin α4β1 detected through their different affinities for a small molecule ligand Journal of Biological Chemistry. 274: 13167-13175. PMID 10224072 DOI: 10.1074/Jbc.274.19.13167  1
1999 Taylor FR, Bixler SA, Budman JI, Wen D, Karpusas M, Ryan ST, Jaworski GJ, Safari-Fard A, Pollard S, Whitty A. Induced fit activation mechanism of the exceptionally specific serine protease, complement factor D. Biochemistry. 38: 2849-59. PMID 10052957 DOI: 10.1021/Bi982140F  1
1999 Whitty A, Borysenko CW. Small molecule cytokine mimetics Chemistry and Biology. 6. DOI: 10.1016/S1074-5521(99)80034-9  1
1998 Karpusas M, Whitty A, Runkel L, Hochman P. The structure of human interferon-β: Implications for activity Cellular and Molecular Life Sciences. 54: 1203-1216. PMID 9849615 DOI: 10.1007/S000180050248  1
1998 Whitty A, Raskin N, Olson DL, Borysenko CW, Ambrose CM, Benjamin CD, Burkly LC. Interaction affinity between cytokine receptor components on the cell surface. Proceedings of the National Academy of Sciences of the United States of America. 95: 13165-70. PMID 9789059 DOI: 10.1073/Pnas.95.22.13165  1
1998 Baker DP, Whitty A, Zafari MR, Olson DL, Hession CA, Miatkowski K, Avedissian LS, Foley SF, McKay ML, Benjamin CD, Burkly LC. The murine anti-human common gamma chain monoclonal antibody CP.B8 blocks the second step in the formation of the intermediate affinity IL-2 receptor. Biochemistry. 37: 14337-49. PMID 9772159 DOI: 10.1021/Bi981355M  1
1998 Nash P, Whitty A, Handwerker J, Macen J, McFadden G. Inhibitory specificity of the anti-inflammatory myxoma virus serpin, SERP-1 Journal of Biological Chemistry. 273: 20982-20991. PMID 9694848 DOI: 10.1074/Jbc.273.33.20982  1
1998 Runkel L, Meier W, Pepinsky RB, Karpusas M, Whitty A, Kimball K, Brickelmaier M, Muldowney C, Jones W, Goelz SE. Structural and functional differences between glycosylated and non-glycosylated forms of human interferon-β (IFN-β) Pharmaceutical Research. 15: 641-649. PMID 9587963 DOI: 10.1023/A:1011974512425  1
1997 Sanicola M, Hession C, Worley D, Carmillo P, Ehrenfels C, Walus L, Robinson S, Jaworski G, Wei H, Tizard R, Whitty A, Pepinsky RB, Cate RL. Glial cell line-derived neurotrophic factor-dependent RET activation can be mediated by two different cell-surface accessory proteins Proceedings of the National Academy of Sciences of the United States of America. 94: 6238-6243. PMID 9177201 DOI: 10.1073/Pnas.94.12.6238  1
1997 Singh J, Dobrusin EM, Fry DW, Haske T, Whitty A, McNamara DJ. Structure-based design of a potent, selective, and irreversible inhibitor of the catalytic domain of the erbB receptor subfamily of protein tyrosine kinases Journal of Medicinal Chemistry. 40: 1130-1135. PMID 9089334 DOI: 10.1021/jm960380s  1
1997 Nash P, Whitty A, Hodgkinson C. Inhibitory specificity of the anti-inflammatory serpin, serp-1 Faseb Journal. 11.  1
1995 Lobb RR, Antognetti G, Pepinsky RB, Burkly LC, Leone DR, Whitty A. A direct binding assay for the vascular cell adhesion molecule-1 (VCAM1) interaction with α4 integrins Cell Communication and Adhesion. 3: 385-397. PMID 8640376 DOI: 10.3109/15419069509081293  1
1995 Whitty A, Fierke CA, Jencks WP. Role of binding energy with coenzyme A in catalysis by 3-oxoacid coenzyme A transferase. Biochemistry. 34: 11678-89. PMID 7547900 DOI: 10.1021/Bi00037A005  1
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