740 related articles for article (PubMed ID: 30688165)
1. Virtual screening, pharmacokinetics, molecular dynamics and binding free energy analysis for small natural molecules against cyclin-dependent kinase 5 for Alzheimer's disease.
Shukla R; Singh TR
J Biomol Struct Dyn; 2020 Jan; 38(1):248-262. PubMed ID: 30688165
[TBL] [Abstract][Full Text] [Related]
2. Identification of small molecules against cyclin dependent kinase-5 using chemoinformatics approach for Alzheimer's disease and other tauopathies.
Shukla R; Singh TR
J Biomol Struct Dyn; 2022 Apr; 40(6):2815-2827. PubMed ID: 33155527
[TBL] [Abstract][Full Text] [Related]
3. Identifying natural compounds as multi-target-directed ligands against Alzheimer's disease: an in silico approach.
Ambure P; Bhat J; Puzyn T; Roy K
J Biomol Struct Dyn; 2019 Mar; 37(5):1282-1306. PubMed ID: 29578387
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. Screening of potential drug for Alzheimer's disease: a computational study with GSK-3 β inhibition through virtual screening, docking, and molecular dynamics simulation.
Elangovan ND; Dhanabalan AK; Gunasekaran K; Kandimalla R; Sankarganesh D
J Biomol Struct Dyn; 2021 Nov; 39(18):7065-7079. PubMed ID: 32779973
[TBL] [Abstract][Full Text] [Related]
6. Identification and evaluation of bioactive natural products as potential inhibitors of human microtubule affinity-regulating kinase 4 (MARK4).
Mohammad T; Khan FI; Lobb KA; Islam A; Ahmad F; Hassan MI
J Biomol Struct Dyn; 2019 Apr; 37(7):1813-1829. PubMed ID: 29683402
[TBL] [Abstract][Full Text] [Related]
7. Computational Simulations Identified Two Candidate Inhibitors of Cdk5/p25 to Abrogate Tau-associated Neurological Disorders.
Zeb A; Son M; Yoon S; Kim JH; Park SJ; Lee KW
Comput Struct Biotechnol J; 2019; 17():579-590. PubMed ID: 31073393
[TBL] [Abstract][Full Text] [Related]
8. Identification of potential inhibitors of Fasciola gigantica thioredoxin1: computational screening, molecular dynamics simulation, and binding free energy studies.
Shukla R; Shukla H; Kalita P; Sonkar A; Pandey T; Singh DB; Kumar A; Tripathi T
J Biomol Struct Dyn; 2018 Jun; 36(8):2147-2162. PubMed ID: 28627969
[TBL] [Abstract][Full Text] [Related]
9. Structure-based screening and molecular dynamics simulations offer novel natural compounds as potential inhibitors of Mycobacterium tuberculosis isocitrate lyase.
Shukla R; Shukla H; Sonkar A; Pandey T; Tripathi T
J Biomol Struct Dyn; 2018 Jun; 36(8):2045-2057. PubMed ID: 28605994
[TBL] [Abstract][Full Text] [Related]
10. Pharmacophore-based virtual screening of catechol-o-methyltransferase (COMT) inhibitors to combat Alzheimer's disease.
Patel CN; Georrge JJ; Modi KM; Narechania MB; Patel DP; Gonzalez FJ; Pandya HA
J Biomol Struct Dyn; 2018 Nov; 36(15):3938-3957. PubMed ID: 29281938
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. Designing of dual inhibitors for GSK-3β and CDK5: Virtual screening and in vitro biological activities study.
Xie H; Wen H; Zhang D; Liu L; Liu B; Liu Q; Jin Q; Ke K; Hu M; Chen X
Oncotarget; 2017 Mar; 8(11):18118-18128. PubMed ID: 28179579
[TBL] [Abstract][Full Text] [Related]
13. High-throughput screening of natural compounds and inhibition of a major therapeutic target HsGSK-3β for Alzheimer's disease using computational approaches.
Shukla R; Singh TR
J Genet Eng Biotechnol; 2021 May; 19(1):61. PubMed ID: 33945025
[TBL] [Abstract][Full Text] [Related]
14. Repurposing of phyto-ligand molecules from the honey bee products for Alzheimer's disease as novel inhibitors of BACE-1: small molecule bioinformatics strategies as amyloid-based therapy.
Nisa N; Rasmita B; Arati C; Uditraj C; Siddhartha R; Dinata R; Bhanushree B; Bidanchi RM; Manikandan B; Laskar SA; Abinash G; Pori B; Roy VK; Gurusubramanian G
Environ Sci Pollut Res Int; 2023 Apr; 30(17):51143-51169. PubMed ID: 36808033
[TBL] [Abstract][Full Text] [Related]
15. Identification of novel PI3Kδ inhibitors by docking, ADMET prediction and molecular dynamics simulations.
Liu YY; Feng XY; Jia WQ; Jing Z; Xu WR; Cheng XC
Comput Biol Chem; 2019 Feb; 78():190-204. PubMed ID: 30557817
[TBL] [Abstract][Full Text] [Related]
16. Biocomputational Screening of Natural Compounds against Acetylcholinesterase.
Ahmad SS; Khan MB; Ahmad K; Lim JH; Shaikh S; Lee EJ; Choi I
Molecules; 2021 Apr; 26(9):. PubMed ID: 33946559
[TBL] [Abstract][Full Text] [Related]
17. Discovery of thienoquinolone derivatives as selective and ATP non-competitive CDK5/p25 inhibitors by structure-based virtual screening.
Chatterjee A; Cutler SJ; Doerksen RJ; Khan IA; Williamson JS
Bioorg Med Chem; 2014 Nov; 22(22):6409-21. PubMed ID: 25438765
[TBL] [Abstract][Full Text] [Related]
18. Binding mechanism of CDK5 with roscovitine derivatives based on molecular dynamics simulations and MM/PBSA methods.
Dong K; Wang X; Yang X; Zhu X
J Mol Graph Model; 2016 Jul; 68():57-67. PubMed ID: 27371933
[TBL] [Abstract][Full Text] [Related]
19. Developing Hispolon-based novel anticancer therapeutics against human (NF-κβ) using
Paul M; Kumar Panda M; Thatoi H
J Biomol Struct Dyn; 2019 Sep; 37(15):3947-3967. PubMed ID: 30295165
[TBL] [Abstract][Full Text] [Related]
20. Identification of novel small molecules against GSK3β for Alzheimer's disease using chemoinformatics approach.
Shukla R; Munjal NS; Singh TR
J Mol Graph Model; 2019 Sep; 91():91-104. PubMed ID: 31202091
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
