Search for Potent and Selective Aurora A Inhibitors Based on General Ser/Thr Kinase Pharmacophore Model

Autor: Natalya I. Vasilevich, Victor V. Tatarskiy, Elena A. Aksenova, Denis N. Kazyulkin, Ilya I. Afanasyev

Publikováno v: Pharmaceuticals, Vol 9, Iss 2, p 19 (2016)

Based on the data for compounds known from the literature to be active against various types of Ser/Thr kinases, a general pharmachophore model for these types of kinases was developed. The search for the molecules fitting to this pharmacophore among

Externí odkaz: https://doaj.org/article/e0ea096e19694f9398e19bfa0a5ce99b

Design and Synthesis of Macrocyclic Scaffolds for Compounds with Potential Antituberculosis/Antibacterial Activity and Improved CYP450 Properties

Autor: Anna Aksenova, Ilya I. Afanasyev, Elena Aksenova, Natalya I. Vasilevich

Publikováno v: Proceedings of 2nd International Electronic Conference on Medicinal Chemistry.

Based on an earlier suggested general pharnacophore approach, compounds active against tuberculosis virulent strain H37Rv were obtained. The main drawback of these compounds was an almost complete CYP 3A4 inhibition, which presumably could be overcom

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::aa69bc5a431a3aee89d0fb455984e4d1
https://doi.org/10.3390/ecmc-2-a013

General Ser/Thr Kinases Pharmacophore Approach for Selective Kinase Inhibitors Search as Exemplified by Design of Potent and Selective Aurora A Inhibitors

Autor: Denis N. Kazyulkin, Ilya I. Afanasyev, Natalya I. Vasilevich, Elena Aksenova

Publikováno v: Chemical biologydrug design. 88(1)

A general pharmachophore model for various types of Ser/Thr kinases was developed. Search for the molecules fitting to this pharmacophore among ASINEX proprietary library revealed a number of compounds, which were tested and appeared to possess some

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8962530c58bc6f1a12cfde31d4a36ecb
https://pubmed.ncbi.nlm.nih.gov/26825399

Search for Potent and Selective Aurora A Inhibitors Based on General Ser/Thr Kinase Pharmacophore Model

Autor: Denis N. Kazyulkin, Natalya I. Vasilevich, Elena Aksenova, Ilya I. Afanasyev, Victor V. Tatarskiy

Publikováno v: Pharmaceuticals
Pharmaceuticals; Volume 9; Issue 2; Pages: 19
Pharmaceuticals, Vol 9, Iss 2, p 19 (2016)

Based on the data for compounds known from the literature to be active against various types of Ser/Thr kinases, a general pharmachophore model for these types of kinases was developed. The search for the molecules fitting to this pharmacophore among

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e2d4148c52abfe5f1180de4aa0b236c9
https://doi.org/10.3390/ph9020019

Analysis of microvascular thrombus mechanobiology with a novel particle-based model.

Autor: Masalceva AA; Faculty of Physics, Lomonosov Moscow State University, Moscow, Russia; Center for Theoretical Problems of Physico-chemical Pharmacology, Russian Academy of Science, Moscow, Russia., Kaneva VN; Faculty of Physics, Lomonosov Moscow State University, Moscow, Russia; Center for Theoretical Problems of Physico-chemical Pharmacology, Russian Academy of Science, Moscow, Russia; Dmitry Rogachev National Research Center of Pediatric Hematology, Oncology and Immunology, Moscow, Russia., Panteleev MA; Faculty of Physics, Lomonosov Moscow State University, Moscow, Russia; Center for Theoretical Problems of Physico-chemical Pharmacology, Russian Academy of Science, Moscow, Russia; Dmitry Rogachev National Research Center of Pediatric Hematology, Oncology and Immunology, Moscow, Russia; Faculty of Biological and Medical Physics, Moscow Institute of Physics and Technology, Dolgoprudnyi, Russia., Ataullakhanov F; Faculty of Physics, Lomonosov Moscow State University, Moscow, Russia; Center for Theoretical Problems of Physico-chemical Pharmacology, Russian Academy of Science, Moscow, Russia; Dmitry Rogachev National Research Center of Pediatric Hematology, Oncology and Immunology, Moscow, Russia; Faculty of Biological and Medical Physics, Moscow Institute of Physics and Technology, Dolgoprudnyi, Russia., Volpert V; Institut Camille Jordan, UMR 5208 CNRS, University Lyon 1, 69622 Villeurbanne, France; INRIA Team Dracula, INRIA Lyon La Doua, 69603 Villeurbanne, France; Peoples' Friendship University of Russia (RUDN University), 6 Miklukho-Maklaya St, Moscow 117198, Russia., Afanasyev I; Moscow Center of Fundamental and Applied Mathematics, Moscow, Russia; Research Computing Center of Moscow State University, Moscow, Russia., Nechipurenko DY; Faculty of Physics, Lomonosov Moscow State University, Moscow, Russia; Center for Theoretical Problems of Physico-chemical Pharmacology, Russian Academy of Science, Moscow, Russia; Dmitry Rogachev National Research Center of Pediatric Hematology, Oncology and Immunology, Moscow, Russia. Electronic address: ne4ipur@gmail.com.

Publikováno v: Journal of biomechanics [J Biomech] 2022 Jan; Vol. 130, pp. 110801. Date of Electronic Publication: 2021 Oct 09.