278 related articles for article (PubMed ID: 28768454)
1. Insight into the structural requirements of thiophene-3-carbonitriles-based MurF inhibitors by 3D-QSAR, molecular docking and molecular dynamics study.
Azam MA; Jupudi S
J Recept Signal Transduct Res; 2017 Oct; 37(5):522-534. PubMed ID: 28768454
[TBL] [Abstract][Full Text] [Related]
2. Pharmacophore generation, atom-based 3D-QSAR, molecular docking and molecular dynamics simulation studies on benzamide analogues as FtsZ inhibitors.
Tripathy S; Azam MA; Jupudi S; Sahu SK
J Biomol Struct Dyn; 2018 Sep; 36(12):3218-3230. PubMed ID: 28938860
[TBL] [Abstract][Full Text] [Related]
3. A combination of pharmacophore modeling, atom-based 3D-QSAR, molecular docking and molecular dynamics simulation studies on PDE4 enzyme inhibitors.
Tripuraneni NS; Azam MA
J Biomol Struct Dyn; 2016 Nov; 34(11):2481-92. PubMed ID: 26587754
[TBL] [Abstract][Full Text] [Related]
4. Design of inhibitors of the MurF enzyme of Streptococcus pneumoniae using docking, 3D-QSAR, and de Novo design.
Khedkar SA; Malde AK; Coutinho EC
J Chem Inf Model; 2007; 47(5):1839-46. PubMed ID: 17663541
[TBL] [Abstract][Full Text] [Related]
5. Pharmacophore modeling, 3D-QSAR, and docking study of pyrozolo[1,5-a]pyridine/4,4-dimethylpyrazolone analogues as PDE4 selective inhibitors.
Tripuraneni NS; Azam MA
J Mol Model; 2015 Nov; 21(11):289. PubMed ID: 26499496
[TBL] [Abstract][Full Text] [Related]
6. 3D QSAR, Docking, Molecular Dynamics Simulations and MM-GBSA studies of Extended Side Chain of the Antitubercular Drug (6S) 2-Nitro-6- {[4-(trifluoromethoxy) benzyl] oxy}-6,7-dihydro-5H-imidazo[2,1-b] [1,3] oxazine.
Chaudhari HK; Pahelkar A
Infect Disord Drug Targets; 2019; 19(2):145-166. PubMed ID: 30324898
[TBL] [Abstract][Full Text] [Related]
7. Pharmacophore generation, atom-based 3D-QSAR and molecular dynamics simulation analyses of pyridine-3-carboxamide-6-yl-urea analogues as potential gyrase B inhibitors.
Azam MA; Thathan J
SAR QSAR Environ Res; 2017 Apr; 28(4):275-296. PubMed ID: 28399673
[TBL] [Abstract][Full Text] [Related]
8. Effect of hydrophobic and hydrogen bonding interactions on the potency of ß-alanine analogs of G-protein coupled glucagon receptor inhibitors.
Venugopal PP; Das BK; Soorya E; Chakraborty D
Proteins; 2020 Feb; 88(2):327-344. PubMed ID: 31443129
[TBL] [Abstract][Full Text] [Related]
9. 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]
10. 3D-QSAR, molecular docking and molecular dynamics studies of a series of RORγt inhibitors.
Wang F; Yang W; Shi Y; Le G
J Biomol Struct Dyn; 2015 Sep; 33(9):1929-40. PubMed ID: 25341687
[TBL] [Abstract][Full Text] [Related]
11. Structure-activity relationships of new cyanothiophene inhibitors of the essential peptidoglycan biosynthesis enzyme MurF.
Hrast M; Turk S; Sosič I; Knez D; Randall CP; Barreteau H; Contreras-Martel C; Dessen A; O'Neill AJ; Mengin-Lecreulx D; Blanot D; Gobec S
Eur J Med Chem; 2013 Aug; 66():32-45. PubMed ID: 23786712
[TBL] [Abstract][Full Text] [Related]
12. Discovery of promising FtsZ inhibitors by E-pharmacophore, 3D-QSAR, molecular docking study, and molecular dynamics simulation.
Qiu Y; Zhou L; Hu Y; Bao Y
J Recept Signal Transduct Res; 2019 Apr; 39(2):154-166. PubMed ID: 31355691
[TBL] [Abstract][Full Text] [Related]
13. Pharmacophore modeling, 3D-QSAR and docking study of 2-phenylpyrimidine analogues as selective PDE4B inhibitors.
Tripuraneni NS; Azam MA
J Theor Biol; 2016 Apr; 394():117-126. PubMed ID: 26804643
[TBL] [Abstract][Full Text] [Related]
14. Design, synthesis and evaluation of second generation MurF inhibitors based on a cyanothiophene scaffold.
Hrast M; Anderluh M; Knez D; Randall CP; Barreteau H; O'Neill AJ; Blanot D; Gobec S
Eur J Med Chem; 2014 Feb; 73():83-96. PubMed ID: 24384549
[TBL] [Abstract][Full Text] [Related]
15. Binding mode analysis, dynamic simulation and binding free energy calculations of the MurF ligase from Acinetobacter baumannii.
Ahmad S; Raza S; Uddin R; Azam SS
J Mol Graph Model; 2017 Oct; 77():72-85. PubMed ID: 28843462
[TBL] [Abstract][Full Text] [Related]
16. Pharmacophore modeling, multiple docking, and molecular dynamics studies on Wee1 kinase inhibitors.
Hu Y; Zhou L; Zhu X; Dai D; Bao Y; Qiu Y
J Biomol Struct Dyn; 2019 Jul; 37(10):2703-2715. PubMed ID: 30052133
[TBL] [Abstract][Full Text] [Related]
17. Structural Investigation of Vinca Domain Tubulin Binders by Pharmacophore, Atom based QSAR, Docking and Molecular Dynamics Simulations.
Athar M; Lone MY; Khedkar VM; Radadiya A; Shah A; Jha PC
Comb Chem High Throughput Screen; 2017; 20(8):682-695. PubMed ID: 28486912
[TBL] [Abstract][Full Text] [Related]
18. Structure of MurF from Streptococcus pneumoniae co-crystallized with a small molecule inhibitor exhibits interdomain closure.
Longenecker KL; Stamper GF; Hajduk PJ; Fry EH; Jakob CG; Harlan JE; Edalji R; Bartley DM; Walter KA; Solomon LR; Holzman TF; Gu YG; Lerner CG; Beutel BA; Stoll VS
Protein Sci; 2005 Dec; 14(12):3039-47. PubMed ID: 16322581
[TBL] [Abstract][Full Text] [Related]
19. Insight into the interaction mechanism of human SGLT2 with its inhibitors: 3D-QSAR studies, homology modeling, and molecular docking and molecular dynamics simulations.
Dong L; Feng R; Bi J; Shen S; Lu H; Zhang J
J Mol Model; 2018 Mar; 24(4):86. PubMed ID: 29511885
[TBL] [Abstract][Full Text] [Related]
20. Validation of TZD Scaffold as Potential ARIs: Pharmacophore Modeling, Atom-based 3D QSAR and Docking Studies.
Dahiya L; Mahapatra MK; Kaur R; Kumar V; Kumar M
Comb Chem High Throughput Screen; 2017; 20(4):310-320. PubMed ID: 28302016
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]