Peter W. Kenny
University of São Paulo
62 Papers
566 Citations
Peter W. Kenny is an academic researcher from University of São Paulo. The author has contributed to research in topics: Chemistry & Cathepsin K. The author has an hindex of 27, co-authored 61 publications. Previous affiliations of Peter W. Kenny include Commonwealth Scientific and Industrial Research Organisation & AstraZeneca.
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Papers
Matched molecular pairs as a guide in the optimization of pharmaceutical properties; a study of aqueous solubility, plasma protein binding and oral exposure.
Andrew G. Leach,H. Jones,David A. Cosgrove,Peter W. Kenny,Linette Ruston,Philip A. MacFaul,J. Matthew Wood,Nicola Colclough,Brian Law +8 more
TL;DR: The effects on aqueous solubility, plasma protein binding and oral exposure of adding substituents to aromatic rings and methylating heteroatoms are focused upon.
278
Hydrogen Bonding, Electrostatic Potential, and Molecular Design
TL;DR: The V(alpha)(r) descriptor was introduced and shown to be an effective and useful predictor of hydrogen bond acidity and the effects of hydrogen Bond formation on the strengths of other donors in the interacting molecules were explored and quantified.
157
An Integrated Approach to Fragment-Based Lead Generation:Philosophy, Strategy and Case Studies from AstraZenecas Drug Discovery Programmes
Jeffrey S. Albert,Niklas Blomberg,Alexander L. Breeze,Alastair J. H. Brown,Jeremy N. Burrows,Philip D. Edwards,Rutger H. A. Folmer,Stefan Geschwindner,Edward Jolyon Griffen,Peter W. Kenny,Thorsten Nowak,Lise-Lotte Olsson,Hitesh J. Sanganee,Adam B. Shapiro +13 more
TL;DR: The use of FBLG is exemplified with case studies in the following drug discovery areas: antibacterial enzyme targets, GPCRs (melanocortin 4 receptor modulators), prostaglandin D2 synthase inhibitors, phosphatase inhibitors (protein tyrosine phosphotase 1B), and protease inhibitors
132
Open Science Discovery of Oral Non-Covalent SARS-CoV-2 Main Protease Inhibitor Therapeutics
Hagit Achdout,A. Aimon,Elad Bar-David,Haim Barr,Amir Ben-Shmuel,Jim Bennett,Boby Ml,Borden B,Gregory R. Bowman,Juliane Brun,Bvnbs S,Mark Daniel Calmiano,Anna Carbery,Emma Cattermole,Chernyshenko E,John D. Chodera,Austin Clyde,Joseph E. Coffland,Galit Cohen,Jason C. Cole,Alessandro Contini,Cox L,Cvitkovic M,Alexandre Dias,Kim Donckers,Dotson Dl,Alice Douangamath,Shirly Duberstein,Dudgeon T,Louise Dunnett,Peter Eastman,Noam Erez,Eyermann Cj,Michael Fairhead,Fate G,D. Fearon,Oleg Fedorov,Matteo P. Ferla,R.S. Fernandes,Ferrins L,Richard Foster,Holly Foster,Ronen Gabizon,Adolfo García-Sastre,V.O. Gawriljuk,P. Gehrtz,Carina Gileadi,Charline Giroud,William G. Glass,Robert C. Glen,Itai Glinert,Andre S. Godoy,Marian V. Gorichko,T.J. Gorrie-Stone,Griffen Ej,Hart Sh,Jag Paul Heer,Henry M,Mark A. Hill,Horrell S,Matthew F. D. Hurley,Tomer Israely,Jajack A,Eric Jnoff,Dirk Jochmans,Tobias John,Steven De Jonghe,Anastassia L. Kantsadi,Peter W. Kenny,J. L. Kiappes,Koekemoer L,Kovar B,T. Krojer,Alpha A. Lee,Lefker Ba,Haim Levy,Nir London,Petra Lukacik,Hannah E. Bruce Macdonald,MacLean B,Tika R. Malla,Matviiuk T,William McCorkindale,McGovern Bl,Sharon Melamed,Oleg M. Michurin,Mikolajek H,Milne Bf,Morris A,Garrett M. Morris,Morwitzer Mj,Moustakas D,A.M. Nakamura,Jose Brandao Neto,Johan Neyts,Nguyen L,G.D. Noske,Oleinikovas,Glaucius Oliva,Gijs J. Overheul,David R. Owen,Psenak,Pai R,Pan J,Nir Paran,Benjamin Ian Perry,Pingle M,Pinjari J,Boaz Politi,A.J. Powell,Puni R,Victor L. Rangel,Rambabu N. Reddi,Reid Sp,Efrat Resnick,Ripka Eg,Matthew C. Robinson,Robinson Rp,Rodriguez-Guerra J,Rosales R,Rufa D,Christopher J. Schofield,Shafeev M,Shaikh A,Jiye Shi,Khriesto A. Shurrush,Sukrit Singh,Assa Sittner,R. Skyner,Adam Smalley,Smilova,Solmesky Lj,John Spencer,Claire Strain-Damerell,Swamy,Hadas Tamir,Tennant R,Thompson W,Andrew Thompson,Tomasio S,Anthony Tumber,Ioannis Vakonakis,van Rij Rp,Laura Vangeel,Finny S. Varghese,Vaschetto M,Einat B. Vitner,Voelz,Andrea Volkamer,von Delft F,von Delft A,Martin A. Walsh,Ward W,Charlie Weatherall,Shay Weiss,White Km,Wild Cf,Wittmann M,Nicholas A. Wright,Yfat Yahalom-Ronen,Zaidmann D,Zidane H,Nicole Zitzmann +162 more
TL;DR: The COVID Moonshot as discussed by the authors was a fully open-science structure-enabled drug discovery campaign targeting the SARS-CoV-2 main protease, which leveraged crowdsourcing, high throughput structural biology, machine learning, and exascale molecular simulations.
The nature of ligand efficiency.
TL;DR: The importance of examining relationships between affinity and molecular size directly is stressed throughout this study and an alternative to ligand efficiency for normalization of affinity with respect to molecular size is presented.