Alexey A Lagunin
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Explore the profile of Alexey A Lagunin including associated specialties, affiliations and a list of published articles.
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Recent Articles
11.
Zadorozhny A, Rudik A, Filimonov D, Lagunin A
Int J Mol Sci
. 2023 Feb;
24(3).
PMID: 36768784
Next Generation Sequencing (NGS) technologies are rapidly entering clinical practice. A promising area for their use lies in the field of newborn screening. The mass screening of newborns using NGS...
12.
Lagunin A, Rudik A, Pogodin P, Savosina P, Tarasova O, Dmitriev A, et al.
Int J Mol Sci
. 2023 Jan;
24(2).
PMID: 36675202
In vitro cell-line cytotoxicity is widely used in the experimental studies of potential antineoplastic agents and evaluation of safety in drug discovery. In silico estimation of cytotoxicity against hundreds of...
13.
Kramarova E, Borisevich S, Khamitov E, Korlyukov A, Dorovatovskii P, Shagina A, et al.
Molecules
. 2022 Nov;
27(21).
PMID: 36364369
The synthesis of the products of the 1,3-propanesultone ring opening during its interaction with amides of pyridinecarboxylic acids has been carried out. The dependence of the yield of the reaction...
14.
Karasev D, Sobolev B, Lagunin A, Filimonov D, Poroikov V
Comput Biol Chem
. 2022 Apr;
98:107674.
PMID: 35430543
Prediction of protein-ligand interaction is necessary for drug design, gene regulatory networks investigation, and chemical probes detection. The existing methods commonly demonstrate high prediction accuracy for the particular groups of...
15.
Ivanov S, Lagunin A, Filimonov D, Poroikov V
Chem Res Toxicol
. 2022 Feb;
35(3):402-411.
PMID: 35172101
Assessment of structure-activity relationships (SARs) for predicting severe drug-induced liver injury (DILI) is essential since and preclinical methods cannot detect many druglike compounds disrupting liver functions. To date, plenty of...
16.
Borozdenko D, Ezdoglian A, Shmigol T, Gonchar D, Lyakhmun D, Tarasenko D, et al.
Molecules
. 2021 Oct;
26(20).
PMID: 34684709
We performed an in silico, in vitro, and in vivo assessment of a potassium 2-[2-(2-oxo-4-phenylpyrrolidin-1-yl) acetamido]ethanesulfonate (compound ) as a potential prodrug for cognitive function improvement in ischemic brain injury....
17.
Dmitriev A, Rudik A, Karasev D, Pogodin P, Lagunin A, Filimonov D, et al.
Pharmaceutics
. 2021 Apr;
13(4).
PMID: 33924315
Drug-drug interactions (DDIs) can cause drug toxicities, reduced pharmacological effects, and adverse drug reactions. Studies aiming to determine the possible DDIs for an investigational drug are part of the drug...
18.
Lagunin A, Ivanov S, Gloriozova T, Pogodin P, Filimonov D, Kumar S, et al.
Sci Rep
. 2020 Jan;
10(1):257.
PMID: 31937840
Dementia is a major cause of disability and dependency among older people. If the lives of people with dementia are to be improved, research and its translation into druggable target...
19.
Pogodin P, Lagunin A, Rudik A, Druzhilovskiy D, Filimonov D, Poroikov V
J Chem Inf Model
. 2019 Oct;
59(11):4513-4518.
PMID: 31661960
Discovery of new antibacterial agents is a never-ending task of medicinal chemistry. Every new drug brings significant improvement to patients with bacterial infections, but prolonged usage of antibacterials leads to...
20.
Lagunin A, Geronikaki A, Eleftheriou P, Pogodin P, Zakharov A
J Chem Inf Model
. 2019 Jan;
59(2):713-730.
PMID: 30688458
Numerous studies have been published in recent years with acceptable quantitative structure-activity relationship (QSAR) modeling based on heterogeneous data. In many cases, the training sets for QSAR modeling were constructed...