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Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
Sushko I, Novotarskyi S, Körner R, Pandey AK, Rupp M, Teetz W, Brandmaier S, Abdelaziz A, Prokopenko VV, Tanchuk VY, Todeschini R, Varnek A, Marcou G, Ertl P, Potemkin V, Grishina M, Gasteiger J, Schwab C, Baskin II, Palyulin VA, Radchenko EV, Welsh WJ, Kholodovych V, Chekmarev D, Cherkasov A, Aires-de-Sousa J, Zhang QY, Bender A, Nigsch F, Patiny L, Williams A, Tkachenko V, Tetko IV. Sushko I, et al. Among authors: palyulin va. J Comput Aided Mol Des. 2011 Jun;25(6):533-54. doi: 10.1007/s10822-011-9440-2. Epub 2011 Jun 10. J Comput Aided Mol Des. 2011. PMID: 21660515 Free PMC article.
Corrigendum to "Conjugates of tacrine and 1,2,4-thiadiazole derivatives as new potential multifunctional agents for Alzheimer's disease treatment: Synthesis, quantum-chemical characterization, molecular docking, and biological evaluation". [Bioorg. Chem. 94C (2019)].
Makhaeva GF, Kovaleva NV, Boltneva NP, Lushchekina SV, Rudakova EV, Stupina TS, Terentiev AA, Serkov IV, Proshin AN, Radchenko EV, Palyulin VA, Bachurin SO, Richardson RJ. Makhaeva GF, et al. Among authors: palyulin va. Bioorg Chem. 2020 Mar;96:103563. doi: 10.1016/j.bioorg.2019.103563. Epub 2020 Jan 31. Bioorg Chem. 2020. PMID: 32007720 No abstract available.
Bivalent AMPA receptor positive allosteric modulators of the bis(pyrimidine) series.
Nazarova AA, Sedenkova KN, Karlov DS, Lavrov MI, Grishin YK, Kuznetsova TS, Zamoyski VL, Grigoriev VV, Averina EB, Palyulin VA. Nazarova AA, et al. Among authors: palyulin va. Medchemcomm. 2019 Jul 12;10(9):1615-1619. doi: 10.1039/c9md00262f. eCollection 2019 Sep 1. Medchemcomm. 2019. PMID: 31803402 Free PMC article.
Combining Experimental and Computational Methods to Produce Conjugates of Anticholinesterase and Antioxidant Pharmacophores with Linker Chemistries Affecting Biological Activities Related to Treatment of Alzheimer's Disease.
Makhaeva GF, Kovaleva NV, Rudakova EV, Boltneva NP, Lushchekina SV, Astakhova TY, Timokhina EN, Serkov IV, Proshin AN, Soldatova YV, Poletaeva DA, Faingold II, Mumyatova VA, Terentiev AA, Radchenko EV, Palyulin VA, Bachurin SO, Richardson RJ. Makhaeva GF, et al. Among authors: palyulin va. Molecules. 2024 Jan 9;29(2):321. doi: 10.3390/molecules29020321. Molecules. 2024. PMID: 38257233 Free PMC article.
Novel substituted 5-methyl-4-acylaminoisoxazoles as antimitotic agents: Evaluation of selectivity to LNCaP cancer cells.
Sadovnikov KS, Vasilenko DA, Gracheva YA, Zefirov NA, Radchenko EV, Palyulin VA, Grishin YK, Vasilichin VA, Shtil AA, Shevtsov PN, Shevtsova EF, Kuznetsova TS, Kuznetsov SA, Bunev AS, Zefirova ON, Milaeva ER, Averina EB. Sadovnikov KS, et al. Among authors: palyulin va. Arch Pharm (Weinheim). 2022 May;355(5):e2100425. doi: 10.1002/ardp.202100425. Epub 2022 Feb 1. Arch Pharm (Weinheim). 2022. PMID: 35103336
Fragmental approach in QSPR.
Zefirov NS, Palyulin VA. Zefirov NS, et al. Among authors: palyulin va. J Chem Inf Comput Sci. 2002 Sep-Oct;42(5):1112-22. doi: 10.1021/ci020010e. J Chem Inf Comput Sci. 2002. PMID: 12376998
146 results