Peter W Kenny
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Explore the profile of Peter W Kenny including associated specialties, affiliations and a list of published articles.
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37
Citations
460
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Recent Articles
1.
Boby M, Fearon D, Ferla M, Filep M, Koekemoer L, Robinson M, et al.
Science
. 2023 Nov;
382(6671):eabo7201.
PMID: 37943932
We report the results of the COVID Moonshot, a fully open-science, crowdsourced, and structure-enabled drug discovery campaign targeting the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main protease. We discovered...
2.
Kenny P
J Med Chem
. 2022 Oct;
65(21):14261-14275.
PMID: 36282210
Hydrogen-bond donors are seen to cause more problems for drug designers than hydrogen-bond acceptors. Most of the polarity in drug-like compounds comes from hydrogen-bond acceptors since they typically exceed the...
3.
Dos Santos A, Oliveira A, da Costa C, Kenny P, Montanari C, Varela Junior J, et al.
J Chem Inf Model
. 2022 Aug;
62(17):4083-4094.
PMID: 36044342
We have used molecular dynamics (MD) simulations with hybrid quantum mechanics/molecular mechanics (QM/MM) potentials to investigate the reaction mechanism for covalent inhibition of cathepsin K and assess the reversibility of...
4.
Ribeiro J, Cianni L, Li C, Warwick T, De Vita D, Rosini F, et al.
Bioorg Med Chem
. 2020 Oct;
28(22):115743.
PMID: 33038787
Leishmania mexicana is an obligate intracellular protozoan parasite that causes the cutaneous form of leishmaniasis affecting South America and Mexico. The cysteine protease LmCPB is essential for the virulence of...
5.
Gomes J, Cianni L, Ribeiro J, Dos Reis Rocho F, da Costa Martins Silva S, Jatai Batista P, et al.
Bioorg Med Chem
. 2019 Sep;
27(22):115083.
PMID: 31561938
The structure-activity relationship for nitrile-based cruzain inhibitors incorporating a P2 amide replacement based on trifluoroethylamine was explored by deconstruction of a published series of inhibitors. It was demonstrated that the...
6.
Kenny P
J Cheminform
. 2019 Feb;
11(1):8.
PMID: 30706294
Ligand efficiency is a widely used design parameter in drug discovery. It is calculated by scaling affinity by molecular size and has a nontrivial dependency on the concentration unit used...
7.
Silva D, Ribeiro J, De Vita D, Cianni L, Franco C, Freitas-Junior L, et al.
Bioorg Med Chem Lett
. 2017 Oct;
27(22):5031-5035.
PMID: 29054358
The effects on potency of cruzain inhibition of replacing a nitrile group with alternative warheads were explored. The oxime was almost an order of magnitude more potent than the corresponding...
8.
Kenny P
J Chem Inf Model
. 2017 Oct;
57(11):2640-2645.
PMID: 29048168
Model: 2017 , 57 , 387 - 390 ) is examined critically. When assessing assay hits from screening, it is important to draw a distinction between false positives, that have...
9.
Burtoloso A, de Albuquerque S, Furber M, Gomes J, Goncalez C, Kenny P, et al.
PLoS Negl Trop Dis
. 2017 Feb;
11(2):e0005343.
PMID: 28222138
The cysteine protease cruzipain is considered to be a validated target for therapeutic intervention in the treatment of Chagas disease. Anti-trypanosomal activity against the CL Brener strain of T. cruzi...
10.
Borges N, Kenny P, Montanari C, Prokopczyk I, Ribeiro J, Rocha J, et al.
J Comput Aided Mol Des
. 2017 Jan;
31(2):163-181.
PMID: 28054187
This Perspective explores how consideration of hydrogen bonding can be used to both predict and better understand partition coefficients. It is shown how polarity of both compounds and substructures can...