80 related articles for article (PubMed ID: 27762146)
1. Combined QSAR-based virtual screening and fluorescence binding assay to identify natural product mediators of Interferon Regulatory Factor 7 (IRF-7) in pulmonary infection.
Liu Y; Huang L; Ye H; Lv X
SAR QSAR Environ Res; 2016 Nov; 27(11):967-976. PubMed ID: 27762146
[TBL] [Abstract][Full Text] [Related]
2. Rational screening of peroxisome proliferator-activated receptor-γ agonists from natural products: potential therapeutics for heart failure.
Chen R; Wan J; Song J; Qian Y; Liu Y; Gu S
Pharm Biol; 2017 Dec; 55(1):503-509. PubMed ID: 27937122
[TBL] [Abstract][Full Text] [Related]
3. Stepwise high-throughput virtual screening of Rho kinase inhibitors from natural product library and potential therapeutics for pulmonary hypertension.
Su H; Yan J; Xu J; Fan XZ; Sun XL; Chen KY
Pharm Biol; 2015 Aug; 53(8):1201-6. PubMed ID: 25853972
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. Integrated discovery of FOXO1-DNA stabilizers from marine natural products to restore chemosensitivity to anti-EGFR-based therapy for metastatic lung cancer.
Sun Y; Ai X; Hou J; Ye X; Liu R; Shen S; Li Z; Lu S
Mol Biosyst; 2017 Jan; 13(2):330-337. PubMed ID: 27966721
[TBL] [Abstract][Full Text] [Related]
6. Structure-based grafting and identification of kinase-inhibitors to target mTOR signaling pathway as potential therapeutics for glioblastoma.
Cui YH; Chen J; Xu T; Tian HL
Comput Biol Chem; 2015 Feb; 54():57-65. PubMed ID: 25625417
[TBL] [Abstract][Full Text] [Related]
7. Exploration of the structural requirements of HIV-protease inhibitors using pharmacophore, virtual screening and molecular docking approaches for lead identification.
Islam MA; Pillay TS
J Mol Graph Model; 2015 Mar; 56():20-30. PubMed ID: 25541527
[TBL] [Abstract][Full Text] [Related]
8. Molecular docking based virtual screening of natural compounds as potential BACE1 inhibitors: 3D QSAR pharmacophore mapping and molecular dynamics analysis.
Kumar A; Roy S; Tripathi S; Sharma A
J Biomol Struct Dyn; 2016; 34(2):239-49. PubMed ID: 25707809
[TBL] [Abstract][Full Text] [Related]
9. In silico studies and fluorescence binding assays of potential anti-prion compounds reveal an important binding site for prion inhibition from PrP(C) to PrP(Sc).
Pagadala NS; Perez-Pineiro R; Wishart DS; Tuszynski JA
Eur J Med Chem; 2015 Feb; 91():118-31. PubMed ID: 25042003
[TBL] [Abstract][Full Text] [Related]
10. Stepwise development of structure-activity relationship of diverse PARP-1 inhibitors through comparative and validated in silico modeling techniques and molecular dynamics simulation.
Halder AK; Saha A; Saha KD; Jha T
J Biomol Struct Dyn; 2015; 33(8):1756-79. PubMed ID: 25350685
[TBL] [Abstract][Full Text] [Related]
11. Identification of Binding Mode and Prospective Structural Features of Novel Nef Protein Inhibitors as Potential Anti-HIV Drugs.
Moonsamy S; Bhakat S; Ramesh M; Soliman ME
Cell Biochem Biophys; 2017 Mar; 75(1):49-64. PubMed ID: 27981421
[TBL] [Abstract][Full Text] [Related]
12. Molecular Dynamics Simulations to Investigate the Binding Mode of the Natural Product Liphagal with Phosphoinositide 3-Kinase α.
Gao Y; Ma Y; Yang G; Li Y
Molecules; 2016 Jun; 21(7):. PubMed ID: 27367663
[TBL] [Abstract][Full Text] [Related]
13. QSAR Classification-Based Virtual Screening Followed by Molecular Docking Identification of Potential COX-2 Inhibitors in a Natural Product Library.
Ai S; Lin G; Bai Y; Liu X; Piao L
J Comput Biol; 2019 Nov; 26(11):1296-1315. PubMed ID: 31233340
[No Abstract] [Full Text] [Related]
14. Group-based QSAR and molecular dynamics mechanistic analysis revealing the mode of action of novel piperidinone derived protein-protein inhibitors of p53-MDM2.
Goyal S; Grover S; Dhanjal JK; Tyagi C; Goyal M; Grover A
J Mol Graph Model; 2014 Jun; 51():64-72. PubMed ID: 24858256
[TBL] [Abstract][Full Text] [Related]
15. Identification and analyses of natural compounds as potential inhibitors of TRAF6-Basigin interactions in melanoma using structure-based virtual screening and molecular dynamics simulations.
Biswas R; Chowdhury N; Mukherjee R; Bagchi A
J Mol Graph Model; 2018 Oct; 85():281-293. PubMed ID: 30253283
[TBL] [Abstract][Full Text] [Related]
16. Novel PPAR-gamma agonists identified from a natural product library: a virtual screening, induced-fit docking and biological assay study.
Salam NK; Huang TH; Kota BP; Kim MS; Li Y; Hibbs DE
Chem Biol Drug Des; 2008 Jan; 71(1):57-70. PubMed ID: 18086153
[TBL] [Abstract][Full Text] [Related]
17. Identification of STAT1 and STAT3 specific inhibitors using comparative virtual screening and docking validation.
Szelag M; Czerwoniec A; Wesoly J; Bluyssen HA
PLoS One; 2015; 10(2):e0116688. PubMed ID: 25710482
[TBL] [Abstract][Full Text] [Related]
18. 3D-QSAR studies and shape based virtual screening for identification of novel hits to inhibit MbtA in Mycobacterium tuberculosis.
Maganti L; ; Ghoshal N
J Biomol Struct Dyn; 2015; 33(2):344-64. PubMed ID: 24417439
[TBL] [Abstract][Full Text] [Related]
19. Profiling the structural determinants for the selectivity of representative factor-Xa and thrombin inhibitors using combined ligand-based and structure-based approaches.
Bhunia SS; Roy KK; Saxena AK
J Chem Inf Model; 2011 Aug; 51(8):1966-85. PubMed ID: 21761917
[TBL] [Abstract][Full Text] [Related]
20. Identification of diverse natural products as falcipain-2 inhibitors through structure-based virtual screening.
Wang L; Zhang S; Zhu J; Zhu L; Liu X; Shan L; Huang J; Zhang W; Li H
Bioorg Med Chem Lett; 2014 Mar; 24(5):1261-4. PubMed ID: 24530004
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
