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Best matches for "Cyclin-Dependent Kinase 2" and docking:

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Items: 1 to 20 of 199

1.

Design, synthesis and molecular modeling study of certain 4-Methylbenzenesulfonamides with CDK2 inhibitory activity as anticancer and radio-sensitizing agents.

Ghorab MM, Ragab FA, Heiba HI, Elsayed MSA, Ghorab WM.

Bioorg Chem. 2018 Jun 5;80:276-287. doi: 10.1016/j.bioorg.2018.06.010. [Epub ahead of print]

PMID:
29966874
2.

Design, Synthesis, Anticancer Evaluation and Docking Studies of Novel Heterocyclic Derivatives Obtained via Reactions Involving Curcumin.

Borik RM, Fawzy NM, Abu-Bakr SM, Aly MS.

Molecules. 2018 Jun 8;23(6). pii: E1398. doi: 10.3390/molecules23061398.

3.

Pyrimidine-based pyrazoles as cyclin-dependent kinase 2 inhibitors: Design, synthesis, and biological evaluation.

Vekariya MK, Vekariya RH, Brahmkshatriya PS, Shah NK.

Chem Biol Drug Des. 2018 May 16. doi: 10.1111/cbdd.13334. [Epub ahead of print]

PMID:
29767460
4.

Synthesis, anticancer evaluation, and molecular docking studies of some novel 4,6-disubstituted pyrazolo[3,4-d]pyrimidines as cyclin-dependent kinase 2 (CDK2) inhibitors.

Cherukupalli S, Chandrasekaran B, Kryštof V, Aleti RR, Sayyad N, Merugu SR, Kushwaha ND, Karpoormath R.

Bioorg Chem. 2018 Sep;79:46-59. doi: 10.1016/j.bioorg.2018.02.030. Epub 2018 Mar 17.

PMID:
29753773
5.

Imidazo[1,2-c]pyrimidin-5(6H)-one as a novel core of cyclin-dependent kinase 2 inhibitors: Synthesis, activity measurement, docking, and quantum mechanical scoring.

Ajani H, Jansa J, Köprülüoğlu C, Hobza P, Kryštof V, Lyčka A, Lepsik M.

J Mol Recognit. 2018 Apr 23:e2720. doi: 10.1002/jmr.2720. [Epub ahead of print]

PMID:
29687635
6.

Tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-based CDK inhibitor.

Opoku-Temeng C, Dayal N, Hernandez DE, Naganna N, Sintim HO.

Chem Commun (Camb). 2018 May 1;54(36):4521-4524. doi: 10.1039/c8cc01154k.

PMID:
29629444
7.

Biological activity, quantitative structure-activity relationship analysis, and molecular docking of xanthone derivatives as anticancer drugs.

Miladiyah I, Jumina J, Haryana SM, Mustofa M.

Drug Des Devel Ther. 2018 Jan 15;12:149-158. doi: 10.2147/DDDT.S149973. eCollection 2018.

8.

Molecular docking and biological evaluation of some thioxoquinazolin-4(3H)-one derivatives as anticancer, antioxidant and anticonvulsant agents.

Al-Shamary DS, Al-Alshaikh MA, Kheder NA, Mabkhot YN, Badshah SL.

Chem Cent J. 2017 May 31;11(1):48. doi: 10.1186/s13065-017-0272-6.

9.

Supervised machine learning techniques to predict binding affinity. A study for cyclin-dependent kinase 2.

de Ávila MB, Xavier MM, Pintro VO, de Azevedo WF Jr.

Biochem Biophys Res Commun. 2017 Dec 9;494(1-2):305-310. doi: 10.1016/j.bbrc.2017.10.035. Epub 2017 Oct 7.

PMID:
29017921
10.

Exploring the Stability of Ligand Binding Modes to Proteins by Molecular Dynamics Simulations: A Cross-docking Study.

Liu K, Kokubo H.

J Chem Inf Model. 2017 Oct 23;57(10):2514-2522. doi: 10.1021/acs.jcim.7b00412. Epub 2017 Sep 29.

PMID:
28902511
11.

SKLB188 inhibits the growth of head and neck squamous cell carcinoma by suppressing EGFR signalling.

Barzegar M, Ma S, Zhang C, Chen X, Gu Y, Shang C, Jiang X, Yang J, Nathan CA, Yang S, Huang S.

Br J Cancer. 2017 Oct 10;117(8):1154-1163. doi: 10.1038/bjc.2017.298. Epub 2017 Sep 5.

PMID:
28873083
12.

Curcumin: Synthesis optimization and in silico interaction with cyclin dependent kinase.

Ahmed M, Abdul Qadir M, Imtiaz Shafiq M, Muddassar M, Hameed A, Nadeem Arshad M, Asiri AM.

Acta Pharm. 2017 Sep 1;67(3):385-395. doi: 10.1515/acph-2017-0023.

PMID:
28858834
13.

Inhibition mechanism of CDK-2 and GSK-3β by a sulfamoylphenyl derivative of indoline-a molecular dynamics study.

Czeleń P.

J Mol Model. 2017 Aug;23(8):230. doi: 10.1007/s00894-017-3395-8. Epub 2017 Jul 19.

14.

Fusion of Structure and Ligand Based Methods for Identification of Novel CDK2 Inhibitors.

Mahajan P, Chashoo G, Gupta M, Kumar A, Singh PP, Nargotra A.

J Chem Inf Model. 2017 Aug 28;57(8):1957-1969. doi: 10.1021/acs.jcim.7b00293. Epub 2017 Aug 3.

PMID:
28723151
15.

Novel pyrazolopyrimidines: Synthesis, in vitro cytotoxic activity and mechanistic investigation.

Hassan GS, Abdel Rahman DE, Nissan YM, Abdelmajeed EA, Abdelghany TM.

Eur J Med Chem. 2017 Sep 29;138:565-576. doi: 10.1016/j.ejmech.2017.07.003. Epub 2017 Jul 3.

PMID:
28704759
16.

Structural basis of divergent cyclin-dependent kinase activation by Spy1/RINGO proteins.

McGrath DA, Fifield BA, Marceau AH, Tripathi S, Porter LA, Rubin SM.

EMBO J. 2017 Aug 1;36(15):2251-2262. doi: 10.15252/embj.201796905. Epub 2017 Jun 30.

PMID:
28666995
17.

Synthesis and anticancer activity of new [(Indolyl)pyrazolyl]-1,3,4-oxadiazole thioglycosides and acyclic nucleoside analogs.

El-Sayed WA, El-Sofany WI, Hussein HAR, Fathy NM.

Nucleosides Nucleotides Nucleic Acids. 2017 Jul 3;36(7):474-495. doi: 10.1080/15257770.2017.1327665. Epub 2017 Jun 14.

PMID:
28613111
18.

2-Aminomethylthieno[3,2-d]pyrimidin-4(3H)-ones bearing 3-methylpyrazole hinge binding moiety: Highly potent, selective, and time-dependent inhibitors of Cdc7 kinase.

Kurasawa O, Homma M, Oguro Y, Miyazaki T, Mori K, Uchiyama N, Iwai K, Ohashi A, Hara H, Yoshida S, Cho N.

Bioorg Med Chem. 2017 Jul 15;25(14):3658-3670. doi: 10.1016/j.bmc.2017.04.044. Epub 2017 May 2.

PMID:
28533114
19.

Accurate Prediction of Complex Structure and Affinity for a Flexible Protein Receptor and Its Inhibitor.

Bekker GJ, Kamiya N, Araki M, Fukuda I, Okuno Y, Nakamura H.

J Chem Theory Comput. 2017 Jun 13;13(6):2389-2399. doi: 10.1021/acs.jctc.6b01127. Epub 2017 May 18.

PMID:
28482660
20.

Do Fragments and Crystallization Additives Bind Similarly to Drug-like Ligands?

Drwal MN, Jacquemard C, Perez C, Desaphy J, Kellenberger E.

J Chem Inf Model. 2017 May 22;57(5):1197-1209. doi: 10.1021/acs.jcim.6b00769. Epub 2017 Apr 26.

PMID:
28414463

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