Fratev F[au] - Search Results

Year	Number of Results
1981	1
2005	1
2006	1
2007	1
2008	1
2009	3
2010	1
2013	2
2014	1
2015	2
2016	2
2017	1
2018	2
2019	2
2020	1
2021	3
2022	1

1

Discovery of new AKT1 inhibitors by combination of in silico structure based virtual screening approaches and biological evaluations.

Fratev F, Gutierrez DA, Aguilera RJ, Tyagi A, Damodaran C, Sirimulla S. Fratev F, et al. J Biomol Struct Dyn. 2021 Jan;39(1):368-377. doi: 10.1080/07391102.2020.1715835. Epub 2020 Feb 12. J Biomol Struct Dyn. 2021. PMID: 31933423

2

N501Y and K417N Mutations in the Spike Protein of SARS-CoV-2 Alter the Interactions with Both hACE2 and Human-Derived Antibody: A Free Energy of Perturbation Retrospective Study.

Fratev F. Fratev F. J Chem Inf Model. 2021 Dec 27;61(12):6079-6084. doi: 10.1021/acs.jcim.1c01242. Epub 2021 Nov 22. J Chem Inf Model. 2021. PMID: 34806876

3

1H-benzimidazole-2-yl hydrazones as tubulin-targeting agents: Synthesis, structural characterization, anthelmintic activity and antiproliferative activity against MCF-7 breast carcinoma cells and molecular docking studies.

Anichina K, Argirova M, Tzoneva R, Uzunova V, Mavrova A, Vuchev D, Popova-Daskalova G, Fratev F, Guncheva M, Yancheva D. Anichina K, et al. Among authors: fratev f. Chem Biol Interact. 2021 Aug 25;345:109540. doi: 10.1016/j.cbi.2021.109540. Epub 2021 Jun 15. Chem Biol Interact. 2021. PMID: 34139148

4

PPARγ helix 12 exhibits an antagonist conformation.

Fratev F. Fratev F. Phys Chem Chem Phys. 2016 Apr 7;18(13):9272-80. doi: 10.1039/c5cp06729d. Phys Chem Chem Phys. 2016. PMID: 26975214

5

Structural insight into the UNC-45-myosin complex.

Fratev F, Osk Jónsdóttir S, Pajeva I. Fratev F, et al. Proteins. 2013 Jul;81(7):1212-21. doi: 10.1002/prot.24270. Epub 2013 Apr 10. Proteins. 2013. PMID: 23408646

6

An Improved Free Energy Perturbation FEP+ Sampling Protocol for Flexible Ligand-Binding Domains.

Fratev F, Sirimulla S. Fratev F, et al. Sci Rep. 2019 Nov 14;9(1):16829. doi: 10.1038/s41598-019-53133-1. Sci Rep. 2019. PMID: 31728038 Free PMC article.

7

Discovery of GlyT2 Inhibitors Using Structure-Based Pharmacophore Screening and Selectivity Studies by FEP+ Calculations.

Fratev F, Miranda-Arango M, Lopez AB, Padilla E, Sirimulla S. Fratev F, et al. ACS Med Chem Lett. 2019 May 22;10(6):904-910. doi: 10.1021/acsmedchemlett.9b00003. eCollection 2019 Jun 13. ACS Med Chem Lett. 2019. PMID: 31223446 Free PMC article.

8

Elucidation of the orientation of selected drugs with 2-hydroxylpropyl-β-cyclodextrin using 2D-NMR spectroscopy and molecular modeling.

Adhikari S, Daftardar S, Fratev F, Rivera M, Sirimulla S, Alexander K, Boddu SHS. Adhikari S, et al. Among authors: fratev f. Int J Pharm. 2018 Jul 10;545(1-2):357-365. doi: 10.1016/j.ijpharm.2018.05.016. Epub 2018 May 7. Int J Pharm. 2018. PMID: 29747001

9

Prediction of Accurate Binding Modes Using Combination of Classical and Accelerated Molecular Dynamics and Free-Energy Perturbation Calculations: An Application to Toxicity Studies.

Fratev F, Steinbrecher T, Jónsdóttir SÓ. Fratev F, et al. ACS Omega. 2018 Apr 20;3(4):4357-4371. doi: 10.1021/acsomega.8b00123. eCollection 2018 Apr 30. ACS Omega. 2018. PMID: 31458661 Free PMC article.

10

An in silico study of the molecular basis of B-RAF activation and conformational stability.

Fratev FF, Jónsdóttir SO. Fratev FF, et al. BMC Struct Biol. 2009 Jul 22;9:47. doi: 10.1186/1472-6807-9-47. BMC Struct Biol. 2009. PMID: 19624854 Free PMC article.

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