Dmytro S Radchenko
Overview
Explore the profile of Dmytro S Radchenko including associated specialties, affiliations and a list of published articles.
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28
Citations
572
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Recent Articles
1.
Luttens A, Cabeza de Vaca I, Sparring L, Brea J, Martinez A, Kahlous N, et al.
Nat Comput Sci
. 2025 Mar;
PMID: 40082701
The accelerating growth of make-on-demand chemical libraries provides unprecedented opportunities to identify starting points for drug discovery with virtual screening. However, these multi-billion-scale libraries are challenging to screen, even for...
2.
Tummino T, Iliopoulos-Tsoutsouvas C, Braz J, OBrien E, Stein R, Craik V, et al.
Nat Commun
. 2025 Mar;
16(1):2237.
PMID: 40044644
Virtual library docking can reveal unexpected chemotypes that complement the structures of biological targets. Seeking agonists for the cannabinoid-1 receptor (CB1R), we dock 74 million tangible molecules and prioritize 46...
3.
Luttens A, Vo D, Scaletti E, Wiita E, Almlof I, Wallner O, et al.
Nat Commun
. 2025 Feb;
16(1):1741.
PMID: 39966348
Fragment-based screening can catalyze drug discovery by identifying novel scaffolds, but this approach is limited by the small chemical libraries studied by biophysical experiments and the challenging optimization process. To...
4.
Liu F, Mailhot O, Glenn I, Vigneron S, Bassim V, Xu X, et al.
Nat Chem Biol
. 2025 Jan;
PMID: 39753705
Virtual ligand libraries for ligand discovery have recently increased 10,000-fold. Whether this has improved hit rates and potencies has not been directly tested. Meanwhile, typically only dozens of docking hits...
5.
Govor E, Naumchyk V, Nestorak I, Radchenko D, Dudenko D, Moroz Y, et al.
Beilstein J Org Chem
. 2024 Jul;
20:1604-1613.
PMID: 39076290
Parallel Groebke-Blackburn-Bienaymé reaction was evaluated as a source of multimillion chemically accessible chemical space. Two most popular classical protocols involving the use of Sc(OTf) and TsOH as the catalysts were...
6.
Liu F, Mailhot O, Glenn I, Vigneron S, Bassim V, Xu X, et al.
bioRxiv
. 2024 Jul;
PMID: 39026784
Virtual libraries for ligand discovery have recently increased 10,000-fold, and this is thought to have improved hit rates and potencies from library docking. This idea has not, however, been experimentally...
7.
Naumchyk V, Andriashvili V, Radchenko D, Dudenko D, Moroz Y, Tolmachev A, et al.
J Org Chem
. 2024 Feb;
89(5):3161-3183.
PMID: 38383160
The chemoselectivity of halo(het)arene sulfonyl halide aminations is studied thoroughly under parallel synthesis conditions, and the scope and limitations of the method are established. It is shown that SAr-reactive sulfonyl...
8.
Tummino T, Iliopoulos-Tsoutsouvas C, Braz J, OBrien E, Stein R, Craik V, et al.
bioRxiv
. 2024 Feb;
PMID: 38328157
Large library docking can reveal unexpected chemotypes that complement the structures of biological targets. Seeking new agonists for the cannabinoid-1 receptor (CB1R), we docked 74 million tangible molecules, prioritizing 46...
9.
Korshunova M, Huang N, Capuzzi S, Radchenko D, Savych O, Moroz Y, et al.
Commun Chem
. 2023 Jan;
5(1):129.
PMID: 36697952
Deep generative neural networks have been used increasingly in computational chemistry for de novo design of molecules with desired properties. Many deep learning approaches employ reinforcement learning for optimizing the...
10.
Gahbauer S, Correy G, Schuller M, Ferla M, Doruk Y, Rachman M, et al.
Proc Natl Acad Sci U S A
. 2023 Jan;
120(2):e2212931120.
PMID: 36598939
The nonstructural protein 3 (NSP3) of the severe acute respiratory syndrome-coronavirus-2 (SARS-CoV-2) contains a conserved macrodomain enzyme (Mac1) that is critical for pathogenesis and lethality. While small-molecule inhibitors of Mac1...