226 related articles for article (PubMed ID: 26295229)
1. Double Variational Binding--(SMILES) Conformational Analysis by Docking Mechanisms for Anti-HIV Pyrimidine Ligands.
Putz MV; Dudaș NA; Isvoran A
Int J Mol Sci; 2015 Aug; 16(8):19553-601. PubMed ID: 26295229
[TBL] [Abstract][Full Text] [Related]
2. Determining chemical reactivity driving biological activity from SMILES transformations: the bonding mechanism of anti-HIV pyrimidines.
Putz MV; Dudaş NA
Molecules; 2013 Jul; 18(8):9061-116. PubMed ID: 23903183
[TBL] [Abstract][Full Text] [Related]
3. Molecular docking, QSAR and ADMET based mining of natural compounds against prime targets of HIV.
Vora J; Patel S; Sinha S; Sharma S; Srivastava A; Chhabria M; Shrivastava N
J Biomol Struct Dyn; 2019 Jan; 37(1):131-146. PubMed ID: 29268664
[TBL] [Abstract][Full Text] [Related]
4. Computer-aided molecular design of highly potent HIV-1 RT inhibitors: 3D QSAR and molecular docking studies of efavirenz derivatives.
Pungpo P; Saparpakorn P; Wolschann P; Hannongbua S
SAR QSAR Environ Res; 2006 Aug; 17(4):353-70. PubMed ID: 16920659
[TBL] [Abstract][Full Text] [Related]
5. Molecular docking studies of dithionitrobenzoic acid and its related compounds to protein disulfide isomerase: computational screening of inhibitors to HIV-1 entry.
Gowthaman U; Jayakanthan M; Sundar D
BMC Bioinformatics; 2008 Dec; 9 Suppl 12(Suppl 12):S14. PubMed ID: 19091013
[TBL] [Abstract][Full Text] [Related]
6. Structure-based and multiple potential three-dimensional quantitative structure-activity relationship (SB-MP-3D-QSAR) for inhibitor design.
Du QS; Gao J; Wei YT; Du LQ; Wang SQ; Huang RB
J Chem Inf Model; 2012 Apr; 52(4):996-1004. PubMed ID: 22480344
[TBL] [Abstract][Full Text] [Related]
7. A critical assessment of docking programs and scoring functions.
Warren GL; Andrews CW; Capelli AM; Clarke B; LaLonde J; Lambert MH; Lindvall M; Nevins N; Semus SF; Senger S; Tedesco G; Wall ID; Woolven JM; Peishoff CE; Head MS
J Med Chem; 2006 Oct; 49(20):5912-31. PubMed ID: 17004707
[TBL] [Abstract][Full Text] [Related]
8. A pharmacophore docking algorithm and its application to the cross-docking of 18 HIV-NNRTI's in their binding pockets.
Daeyaert F; de Jonge M; Heeres J; Koymans L; Lewi P; Vinkers MH; Janssen PA
Proteins; 2004 Feb; 54(3):526-33. PubMed ID: 14748000
[TBL] [Abstract][Full Text] [Related]
9. 3D-QSAR and docking studies on the HEPT derivatives of HIV-1 reverse transcriptase.
Latha RS; Vijayaraj R; Singam ER; Chitra K; Subramanian V
Chem Biol Drug Des; 2011 Sep; 78(3):418-26. PubMed ID: 21689378
[TBL] [Abstract][Full Text] [Related]
10. Biological profiling of anti-HIV agents and insight into CCR5 antagonist binding using in silico techniques.
Carrieri A; Pérez-Nueno VI; Fano A; Pistone C; Ritchie DW; Teixidó J
ChemMedChem; 2009 Jul; 4(7):1153-63. PubMed ID: 19544518
[TBL] [Abstract][Full Text] [Related]
11. In silico study on indole derivatives as anti HIV-1 agents: a combined docking, molecular dynamics and 3D-QSAR study.
Balupuri A; Gadhe CG; Balasubramanian PK; Kothandan G; Cho SJ
Arch Pharm Res; 2014 Aug; 37(8):1001-15. PubMed ID: 24338530
[TBL] [Abstract][Full Text] [Related]
12. A scalable and accurate method for classifying protein-ligand binding geometries using a MapReduce approach.
Estrada T; Zhang B; Cicotti P; Armen RS; Taufer M
Comput Biol Med; 2012 Jul; 42(7):758-71. PubMed ID: 22658682
[TBL] [Abstract][Full Text] [Related]
13. Novel anti-HIV cyclotriazadisulfonamide derivatives as modeled by ligand- and receptor-based approaches.
Pinheiro JR; Bitencourt M; da Cunha EF; Ramalho TC; Freitas MP
Bioorg Med Chem; 2008 Feb; 16(4):1683-90. PubMed ID: 18053727
[TBL] [Abstract][Full Text] [Related]
14. Virtual screening studies on HIV-1 reverse transcriptase inhibitors to design potent leads.
Vadivelan S; Deeksha TN; Arun S; Machiraju PK; Gundla R; Sinha BN; Jagarlapudi SA
Eur J Med Chem; 2011 Mar; 46(3):851-9. PubMed ID: 21272964
[TBL] [Abstract][Full Text] [Related]
15. Computational model of the HIV-1 subtype A V3 loop: study on the conformational mobility for structure-based anti-AIDS drug design.
Andrianov AM; Anishchenko IV
J Biomol Struct Dyn; 2009 Oct; 27(2):179-93. PubMed ID: 19583444
[TBL] [Abstract][Full Text] [Related]
16. Rational automatic search method for stable docking models of protein and ligand.
Mizutani MY; Tomioka N; Itai A
J Mol Biol; 1994 Oct; 243(2):310-26. PubMed ID: 7932757
[TBL] [Abstract][Full Text] [Related]
17. Computational anti-AIDS drug design based on the analysis of the specific interactions between immunophilins and the HIV-1 gp120 V3 loop. Application to the FK506-binding protein.
Andrianov AM
J Biomol Struct Dyn; 2008 Aug; 26(1):49-56. PubMed ID: 18533725
[TBL] [Abstract][Full Text] [Related]
18. Docking and 3D-QSAR studies of BMS-806 analogs as HIV-1 gp120 entry inhibitors.
Teixeira C; Serradji N; Maurel F; Barbault F
Eur J Med Chem; 2009 Sep; 44(9):3524-32. PubMed ID: 19410340
[TBL] [Abstract][Full Text] [Related]
19. Computational Analysis of Structure-Based Interactions for Novel H₁-Antihistamines.
Yang Y; Li Y; Pan Y; Wang J; Lin F; Wang C; Zhang S; Yang L
Int J Mol Sci; 2016 Jan; 17(1):. PubMed ID: 26797608
[TBL] [Abstract][Full Text] [Related]
20. The design and synthesis of N-1-alkylated-5-aminoarylalkylsubstituted-6-methyluracils as potential non-nucleoside HIV-1 RT inhibitors.
Lu X; Chen Y; Guo Y; Liu Z; Shi Y; Xu Y; Wang X; Zhang Z; Liu J
Bioorg Med Chem; 2007 Dec; 15(23):7399-407. PubMed ID: 17870545
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
