356 related articles for article (PubMed ID: 30665156)
1. Investigation of novel chemical scaffolds targeting prolyl oligopeptidase for neurological therapeutics.
Kumar R; Parameswaran S; Bavi R; Baek A; Son M; Rampogu S; Park C; Lee G; Zeb A; Parate S; Rana RM; Lee KW
J Mol Graph Model; 2019 May; 88():92-103. PubMed ID: 30665156
[TBL] [Abstract][Full Text] [Related]
2. New compounds identified through in silico approaches reduce the α-synuclein expression by inhibiting prolyl oligopeptidase in vitro.
Kumar R; Bavi R; Jo MG; Arulalapperumal V; Baek A; Rampogu S; Kim MO; Lee KW
Sci Rep; 2017 Sep; 7(1):10827. PubMed ID: 28883518
[TBL] [Abstract][Full Text] [Related]
3. Identification of novel leads as potent inhibitors of HDAC3 using ligand-based pharmacophore modeling and MD simulation.
Kumbhar N; Nimal S; Barale S; Kamble S; Bavi R; Sonawane K; Gacche R
Sci Rep; 2022 Feb; 12(1):1712. PubMed ID: 35110603
[TBL] [Abstract][Full Text] [Related]
4. Novel virtual lead identification in the discovery of hematopoietic cell kinase (HCK) inhibitors: application of 3D QSAR and molecular dynamics simulation.
Bavi R; Kumar R; Rampogu S; Kim Y; Kwon YJ; Park SJ; Lee KW
J Recept Signal Transduct Res; 2017 Jun; 37(3):224-238. PubMed ID: 27485399
[TBL] [Abstract][Full Text] [Related]
5. Investigation of non-hydroxamate scaffolds against HDAC6 inhibition: A pharmacophore modeling, molecular docking, and molecular dynamics simulation approach.
Zeb A; Park C; Son M; Rampogu S; Alam SI; Park SJ; Lee KW
J Bioinform Comput Biol; 2018 Jun; 16(3):1840015. PubMed ID: 29945500
[TBL] [Abstract][Full Text] [Related]
6. Novel chemical scaffolds of the tumor marker AKR1B10 inhibitors discovered by 3D QSAR pharmacophore modeling.
Kumar R; Son M; Bavi R; Lee Y; Park C; Arulalapperumal V; Cao GP; Kim HH; Suh JK; Kim YS; Kwon YJ; Lee KW
Acta Pharmacol Sin; 2015 Aug; 36(8):998-1012. PubMed ID: 26051108
[TBL] [Abstract][Full Text] [Related]
7. 3D QSAR pharmacophore-based virtual screening for the identification of potential inhibitors of tyrosinase.
Ghayas S; Ali Masood M; Parveen R; Aquib M; Farooq MA; Banerjee P; Sambhare S; Bavi R
J Biomol Struct Dyn; 2020 Jul; 38(10):2916-2927. PubMed ID: 31334690
[TBL] [Abstract][Full Text] [Related]
8. Prolyl oligopeptidase and its role in the organism: attention to the most promising and clinically relevant inhibitors.
Babkova K; Korabecny J; Soukup O; Nepovimova E; Jun D; Kuca K
Future Med Chem; 2017 Jun; 9(10):1015-1038. PubMed ID: 28632451
[TBL] [Abstract][Full Text] [Related]
9. Identification of potential PKC inhibitors through pharmacophore designing, 3D-QSAR and molecular dynamics simulations targeting Alzheimer's disease.
Iqbal S; Anantha Krishnan D; Gunasekaran K
J Biomol Struct Dyn; 2018 Nov; 36(15):4029-4044. PubMed ID: 29182053
[TBL] [Abstract][Full Text] [Related]
10. Identification of novel Trypanosoma cruzi prolyl oligopeptidase inhibitors by structure-based virtual screening.
de Almeida H; Leroux V; Motta FN; Grellier P; Maigret B; Santana JM; Bastos IM
J Comput Aided Mol Des; 2016 Dec; 30(12):1165-1174. PubMed ID: 27770305
[TBL] [Abstract][Full Text] [Related]
11. Prolyl oligopeptidase inhibition by N-acyl-pro-pyrrolidine-type molecules.
Kánai K; Arányi P; Böcskei Z; Ferenczy G; Harmat V; Simon K; Bátori S; Náray-Szabo G; Hermecz I
J Med Chem; 2008 Dec; 51(23):7514-22. PubMed ID: 19006380
[TBL] [Abstract][Full Text] [Related]
12. Pharmacophore modeling, molecular docking, and molecular dynamics simulation approaches for identifying new lead compounds for inhibiting aldose reductase 2.
Sakkiah S; Thangapandian S; Lee KW
J Mol Model; 2012 Jul; 18(7):3267-82. PubMed ID: 22249747
[TBL] [Abstract][Full Text] [Related]
13. Exploration of Novel Inhibitors for Bruton's Tyrosine Kinase by 3D QSAR Modeling and Molecular Dynamics Simulation.
Bavi R; Kumar R; Choi L; Woo Lee K
PLoS One; 2016; 11(1):e0147190. PubMed ID: 26784025
[TBL] [Abstract][Full Text] [Related]
14. Dicarboxylic acid azacycle l-prolyl-pyrrolidine amides as prolyl oligopeptidase inhibitors and three-dimensional quantitative structure-activity relationship of the enzyme-inhibitor interactions.
Jarho EM; Wallén EA; Christiaans JA; Forsberg MM; Venäläinen JI; Männistö PT; Gynther J; Poso A
J Med Chem; 2005 Jul; 48(15):4772-82. PubMed ID: 16033257
[TBL] [Abstract][Full Text] [Related]
15. 3D-QSAR pharmacophore-based virtual screening, molecular docking and molecular dynamics simulation toward identifying lead compounds for NS2B-NS3 protease inhibitors.
Luo PH; Zhang XR; Huang L; Yuan L; Zhou XZ; Gao X; Li LS
J Recept Signal Transduct Res; 2017 Oct; 37(5):481-492. PubMed ID: 28758854
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. Computational Investigation Identified Potential Chemical Scaffolds for Heparanase as Anticancer Therapeutics.
Parate S; Kumar V; Danishuddin ; Hong JC; Lee KW
Int J Mol Sci; 2021 May; 22(10):. PubMed ID: 34156395
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. Pharmacophore-based virtual screening approach for identification of potent natural modulatory compounds of human Toll-like receptor 7.
Gupta CL; Babu Khan M; Ampasala DR; Akhtar S; Dwivedi UN; Bajpai P
J Biomol Struct Dyn; 2019 Nov; 37(18):4721-4736. PubMed ID: 30661449
[TBL] [Abstract][Full Text] [Related]
20. QSAR and Docking Studies on Piperidyl-cyclohexylurea Derivatives for Prediction of Selective and Potent Inhibitor of Matriptase.
Mirza AZ; Shamshad H
Curr Comput Aided Drug Des; 2019; 15(2):167-181. PubMed ID: 29769007
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
