149 related articles for article (PubMed ID: 19799437)
1. 3D pharmacophore mapping using 4D QSAR analysis for the cytotoxicity of lamellarins against human hormone-dependent T47D breast cancer cells.
Thipnate P; Liu J; Hannongbua S; Hopfinger AJ
J Chem Inf Model; 2009 Oct; 49(10):2312-22. PubMed ID: 19799437
[TBL] [Abstract][Full Text] [Related]
2. 4D-QSAR analysis of a series of antifungal p450 inhibitors and 3D-pharmacophore comparisons as a function of alignment.
Liu J; Pan D; Tseng Y; Hopfinger AJ
J Chem Inf Comput Sci; 2003; 43(6):2170-9. PubMed ID: 14632469
[TBL] [Abstract][Full Text] [Related]
3. 3D-QSAR-Based Pharmacophore Modeling, Virtual Screening, and Molecular Docking Studies for Identification of Tubulin Inhibitors with Potential Anticancer Activity.
Mirzaei S; Ghodsi R; Hadizadeh F; Sahebkar A
Biomed Res Int; 2021; 2021():6480804. PubMed ID: 34485522
[TBL] [Abstract][Full Text] [Related]
4. Prediction of Novel Anoctamin1 (ANO1) Inhibitors Using 3D-QSAR Pharmacophore Modeling and Molecular Docking.
Lee YH; Yi GS
Int J Mol Sci; 2018 Oct; 19(10):. PubMed ID: 30336555
[TBL] [Abstract][Full Text] [Related]
5. In silico approaches to identify novel myeloid cell leukemia-1 (Mcl-1) inhibitors for treatment of cancer.
Ren JX; Li CP; Zhou XL; Cao XS; Xie Y
J Biomol Struct Dyn; 2018 Jul; 36(9):2424-2435. PubMed ID: 28714799
[TBL] [Abstract][Full Text] [Related]
6. ANN-QSAR model for virtual screening of androstenedione C-skeleton containing phytomolecules and analogues for cytotoxic activity against human breast cancer cell line MCF-7.
Prakash O; Khan F; Sangwan RS; Misra L
Comb Chem High Throughput Screen; 2013 Jan; 16(1):57-72. PubMed ID: 23030276
[TBL] [Abstract][Full Text] [Related]
7. 3D-QSAR using pharmacophore-based alignment and virtual screening for discovery of novel MCF-7 cell line inhibitors.
Brogi S; Papazafiri P; Roussis V; Tafi A
Eur J Med Chem; 2013 Sep; 67():344-51. PubMed ID: 23880359
[TBL] [Abstract][Full Text] [Related]
8. Molecular Dynamics Guided Receptor Independent 4D QSAR Studies of Substituted Coumarins as Anticancer Agents.
Patil R; Sawant S
Curr Comput Aided Drug Des; 2015; 11(1):39-50. PubMed ID: 26081557
[TBL] [Abstract][Full Text] [Related]
9. Pharmacophore Based 3D-QSAR, Virtual Screening and Docking Studies on Novel Series of HDAC Inhibitors with Thiophen Linker as Anticancer Agents.
Patel P; Singh A; Patel VK; Jain DK; Veerasamy R; Rajak H
Comb Chem High Throughput Screen; 2016; 19(9):735-751. PubMed ID: 27487787
[TBL] [Abstract][Full Text] [Related]
10. Development of 3D-QSAR Model for Acetylcholinesterase Inhibitors Using a Combination of Fingerprint, Molecular Docking, and Structure-Based Pharmacophore Approaches.
Lee S; Barron MG
Toxicol Sci; 2015 Nov; 148(1):60-70. PubMed ID: 26202430
[TBL] [Abstract][Full Text] [Related]
11. Rational design and 3D-pharmacophore mapping of 5'-thiourea-substituted alpha-thymidine analogues as mycobacterial TMPK inhibitors.
Andrade CH; Pasqualoto KF; Ferreira EI; Hopfinger AJ
J Chem Inf Model; 2009 Apr; 49(4):1070-8. PubMed ID: 19296716
[TBL] [Abstract][Full Text] [Related]
12. Identifying Novel ATX Inhibitors via Combinatory Virtual Screening Using Crystallography-Derived Pharmacophore Modelling, Docking Study, and QSAR Analysis.
Ren JX; Zhang RT; Zhang H
Molecules; 2020 Mar; 25(5):. PubMed ID: 32131468
[TBL] [Abstract][Full Text] [Related]
13. Combined 4D-fingerprint and clustering based membrane-interaction QSAR analyses for constructing consensus Caco-2 cell permeation virtual screens.
Santos-Filho OA; Hopfinger AJ
J Pharm Sci; 2008 Jan; 97(1):566-83. PubMed ID: 17696143
[TBL] [Abstract][Full Text] [Related]
14. Mechanistic insights into mode of action of novel natural cathepsin L inhibitors.
Tyagi C; Grover S; Dhanjal J; Goyal S; Goyal M; Grover A
BMC Genomics; 2013; 14 Suppl 8(Suppl 8):S10. PubMed ID: 24564425
[TBL] [Abstract][Full Text] [Related]
15. Treating chemical diversity in QSAR analysis: modeling diverse HIV-1 integrase inhibitors using 4D fingerprints.
Iyer M; Hopfinger AJ
J Chem Inf Model; 2007; 47(5):1945-60. PubMed ID: 17661457
[TBL] [Abstract][Full Text] [Related]
16. In silico binary classification QSAR models based on 4D-fingerprints and MOE descriptors for prediction of hERG blockage.
Su BH; Shen MY; Esposito EX; Hopfinger AJ; Tseng YJ
J Chem Inf Model; 2010 Jul; 50(7):1304-18. PubMed ID: 20565102
[TBL] [Abstract][Full Text] [Related]
17. Comparative validated molecular modeling of p53-HDM2 inhibitors as antiproliferative agents.
Mondal C; Halder AK; Adhikari N; Saha A; Saha KD; Gayen S; Jha T
Eur J Med Chem; 2015 Jan; 90():860-75. PubMed ID: 25535952
[TBL] [Abstract][Full Text] [Related]
18. Pharmacophore, 3D-QSAR Models and Dynamic Simulation of 1,4-Benzothiazines for Colorectal Cancer Treatment.
Rai A; Raj V; Aboumanei MH; Singh AK; Keshari AK; Verma SP; Saha S
Comb Chem High Throughput Screen; 2017; 20(8):658-674. PubMed ID: 28486913
[TBL] [Abstract][Full Text] [Related]
19. Understanding the structural requirements in diverse scaffolds for the inhibition of P. falciparum dihydroorotate dehydrogenase (PfDHODH) using 2D-QSAR, 3D-pharmacophore and structure-based energy- optimized pharmacophore models.
Aher RB; Roy K
Comb Chem High Throughput Screen; 2015; 18(2):217-26. PubMed ID: 25543684
[TBL] [Abstract][Full Text] [Related]
20. Ligand-based pharmacophore modelling and virtual screening for the identification of amyloid-beta diagnostic molecules.
Marondedze EF; Govender KK; Govender PP
J Mol Graph Model; 2020 Dec; 101():107711. PubMed ID: 32898834
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
