114 related articles for article (PubMed ID: 22587761)
1. Fullerene derivative as anti-HIV protease inhibitor: molecular modeling and QSAR approaches.
Ibrahim M; Saleh NA; Elshemey WM; Elsayed AA
Mini Rev Med Chem; 2012 Jun; 12(6):447-51. PubMed ID: 22587761
[TBL] [Abstract][Full Text] [Related]
2. The QSAR and docking calculations of fullerene derivatives as HIV-1 protease inhibitors.
Saleh NA
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt C():1523-9. PubMed ID: 25459714
[TBL] [Abstract][Full Text] [Related]
3. Receptor- and ligand-based study of fullerene analogues: comprehensive computational approach including quantum-chemical, QSAR and molecular docking simulations.
Ahmed L; Rasulev B; Turabekova M; Leszczynska D; Leszczynski J
Org Biomol Chem; 2013 Sep; 11(35):5798-808. PubMed ID: 23900343
[TBL] [Abstract][Full Text] [Related]
4. Structural and electronic properties of new fullerene derivatives and their possible application as HIV-1 protease inhibitors.
Ibrahim M; Saleh NA; Hameed AJ; Elshemey WM; Elsayed AA
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Feb; 75(2):702-9. PubMed ID: 20044306
[TBL] [Abstract][Full Text] [Related]
5. SMILES-based optimal descriptors: QSAR analysis of fullerene-based HIV-1 PR inhibitors by means of balance of correlations.
Toropov AA; Toropova AP; Benfenati E; Leszczynska D; Leszczynski J
J Comput Chem; 2010 Jan; 31(2):381-92. PubMed ID: 19479738
[TBL] [Abstract][Full Text] [Related]
6. Modeling interactions between C₆₀ antiviral compounds and HIV protease.
Al Garalleh H; Thamwattana N; Cox BJ; Hill JM
Bull Math Biol; 2015 Jan; 77(1):184-201. PubMed ID: 25583353
[TBL] [Abstract][Full Text] [Related]
7. InChI-based optimal descriptors: QSAR analysis of fullerene[C60]-based HIV-1 PR inhibitors by correlation balance.
Toropov AA; Toropova AP; Benfenati E; Leszczynska D; Leszczynski J
Eur J Med Chem; 2010 Apr; 45(4):1387-94. PubMed ID: 20116899
[TBL] [Abstract][Full Text] [Related]
8. Computational design of novel fullerene analogues as potential HIV-1 PR inhibitors: Analysis of the binding interactions between fullerene inhibitors and HIV-1 PR residues using 3D QSAR, molecular docking and molecular dynamics simulations.
Durdagi S; Mavromoustakos T; Chronakis N; Papadopoulos MG
Bioorg Med Chem; 2008 Dec; 16(23):9957-74. PubMed ID: 18996019
[TBL] [Abstract][Full Text] [Related]
9. Molecular Dynamics Simulation Study of the HIV-1 Protease Inhibit ion Using Fullerene and New Fullerene Derivatives of Carbon Nanostructures.
Barzegar A; Naghizadeh E; Zakariazadeh M; Azamat J
Mini Rev Med Chem; 2017; 17(7):633-647. PubMed ID: 27292780
[TBL] [Abstract][Full Text] [Related]
10. Binding of novel fullerene inhibitors to HIV-1 protease: insight through molecular dynamics and molecular mechanics Poisson-Boltzmann surface area calculations.
Tzoupis H; Leonis G; Durdagi S; Mouchlis V; Mavromoustakos T; Papadopoulos MG
J Comput Aided Mol Des; 2011 Oct; 25(10):959-76. PubMed ID: 21969102
[TBL] [Abstract][Full Text] [Related]
11. Target-selective photodegradation of HIV-1 protease and inhibition of HIV-1 replication in living cells by designed fullerene-sugar hybrids.
Tanimoto S; Sakai S; Kudo E; Okada S; Matsumura S; Takahashi D; Toshima K
Chem Asian J; 2012 May; 7(5):911-4. PubMed ID: 22378594
[No Abstract] [Full Text] [Related]
12. 3D QSAR CoMFA/CoMSIA, molecular docking and molecular dynamics studies of fullerene-based HIV-1 PR inhibitors.
Durdagi S; Mavromoustakos T; Papadopoulos MG
Bioorg Med Chem Lett; 2008 Dec; 18(23):6283-9. PubMed ID: 18951793
[TBL] [Abstract][Full Text] [Related]
13. Validated predictive QSAR modeling of N-aryl-oxazolidinone-5-carboxamides for anti-HIV protease activity.
Halder AK; Jha T
Bioorg Med Chem Lett; 2010 Oct; 20(20):6082-7. PubMed ID: 20832304
[TBL] [Abstract][Full Text] [Related]
14. Molecular dynamics study of the connection between flap closing and binding of fullerene-based inhibitors of the HIV-1 protease.
Zhu Z; Schuster DI; Tuckerman ME
Biochemistry; 2003 Feb; 42(5):1326-33. PubMed ID: 12564936
[TBL] [Abstract][Full Text] [Related]
15. Characterization of New Cationic N,N-Dimethyl[70]fulleropyrrolidinium Iodide Derivatives as Potent HIV-1 Maturation Inhibitors.
Castro E; Martinez ZS; Seong CS; Cabrera-Espinoza A; Ruiz M; Hernandez Garcia A; Valdez F; Llano M; Echegoyen L
J Med Chem; 2016 Dec; 59(24):10963-10973. PubMed ID: 28002960
[TBL] [Abstract][Full Text] [Related]
16. Structure-based QSAR analysis of a set of 4-hydroxy-5,6-dihydropyrones as inhibitors of HIV-1 protease: an application of the receptor-dependent (RD) 4D-QSAR formalism.
Santos-Filho OA; Hopfinger AJ
J Chem Inf Model; 2006; 46(1):345-54. PubMed ID: 16426069
[TBL] [Abstract][Full Text] [Related]
17. Finding the structural requirements of diverse HIV-1 protease inhibitors using multiple QSAR modelling for lead identification.
Halder AK
SAR QSAR Environ Res; 2018 Nov; 29(11):911-933. PubMed ID: 30332922
[TBL] [Abstract][Full Text] [Related]
18. Deformation density components analysis of fullerene-based anti-HIV drugs.
Fakhraee S; Souri M
J Mol Model; 2014 Nov; 20(11):2486. PubMed ID: 25388278
[TBL] [Abstract][Full Text] [Related]
19. Receptor-independent 4D-QSAR analysis of a set of norstatine derived inhibitors of HIV-1 protease.
Senese CL; Hopfinger AJ
J Chem Inf Comput Sci; 2003; 43(4):1297-307. PubMed ID: 12870923
[TBL] [Abstract][Full Text] [Related]
20. A QSAR study of HIV protease inhibitors using theoretical descriptors.
Basak SC; Mills D; Garg R; Bhhatarai B
Curr Comput Aided Drug Des; 2010 Dec; 6(4):269-82. PubMed ID: 20883201
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
