138 related articles for article (PubMed ID: 32659088)
1. Deciphering the Inhibition Mechanism of under Trial Hsp90 Inhibitors and Their Analogues: A Comparative Molecular Dynamics Simulation.
Nazar A; Abbas G; Azam SS
J Chem Inf Model; 2020 Aug; 60(8):3812-3830. PubMed ID: 32659088
[TBL] [Abstract][Full Text] [Related]
2. In silico identification of potential Hsp90 inhibitors via ensemble docking, DFT and molecular dynamics simulations.
Rezvani S; Ebadi A; Razzaghi-Asl N
J Biomol Struct Dyn; 2022; 40(21):10665-10676. PubMed ID: 34286666
[TBL] [Abstract][Full Text] [Related]
3. Could the FDA-approved anti-HIV PR inhibitors be promising anticancer agents? An answer from enhanced docking approach and molecular dynamics analyses.
Arodola OA; Soliman ME
Drug Des Devel Ther; 2015; 9():6055-65. PubMed ID: 26622167
[TBL] [Abstract][Full Text] [Related]
4. Prediction of new Hsp90 inhibitors based on 3,4-isoxazolediamide scaffold using QSAR study, molecular docking and molecular dynamic simulation.
Abbasi M; Sadeghi-Aliabadi H; Amanlou M
Daru; 2017 Jun; 25(1):17. PubMed ID: 28666484
[TBL] [Abstract][Full Text] [Related]
5. Drug Design, Synthesis and In Vitro Evaluation of Substituted Benzofurans as Hsp90 Inhibitors.
Kadasi S; Costa TEMM; Arukala N; Toshakani M; Duggineti C; Thota S; Dutta Gupta S; Raj S; Penido C; Henriques MG; Raghavendra NM
Med Chem; 2018; 14(1):44-52. PubMed ID: 28641528
[TBL] [Abstract][Full Text] [Related]
6. Towards the In-silico Design of New HSP90 Inhibitors: Molecular Docking and 3D-QSAR CoMFA Studies of Tetrahydropyrido [4, 3-d] Pyrimidine Derivatives as HSP90 Inhibitors.
Sepehri B; Ghavami R
Med Chem; 2018; 14(5):439-450. PubMed ID: 29564982
[TBL] [Abstract][Full Text] [Related]
7. Targeting protein tyrosine phosphatase to unravel possible inhibitors for Streptococcus pneumoniae using molecular docking, molecular dynamics simulations coupled with free energy calculations.
Zaman Z; Khan S; Nouroz F; Farooq U; Urooj A
Life Sci; 2021 Jan; 264():118621. PubMed ID: 33164832
[TBL] [Abstract][Full Text] [Related]
8. Design, Synthesis, and Evaluation of Heat Shock Protein 90 Inhibitors in Human Breast Cancer and Its Metastasis.
Gümus M; Ozgur A; Tutar L; Disli A; Koca I; Tutar Y
Curr Pharm Biotechnol; 2016; 17(14):1231-1245. PubMed ID: 27804852
[TBL] [Abstract][Full Text] [Related]
9. Understanding the Hsp90
Magwenyane AM; Mhlongo NN; Lawal MM; Amoako DG; Somboro AM; Sosibo SC; Shunmugam L; Khan RB; Kumalo HM
Molecules; 2020 Apr; 25(8):. PubMed ID: 32295059
[TBL] [Abstract][Full Text] [Related]
10. Molecular dynamics simulation studies of novel β-lactamase inhibitor.
Ul Haq F; Abro A; Raza S; Liedl KR; Azam SS
J Mol Graph Model; 2017 Jun; 74():143-152. PubMed ID: 28432959
[TBL] [Abstract][Full Text] [Related]
11. Molecular docking and dynamics simulation study of quinones and pyrones from
H N K; Murali Sharma P; Garampalli RH
J Biomol Struct Dyn; 2023; 41(24):14744-14756. PubMed ID: 36935093
[TBL] [Abstract][Full Text] [Related]
12. Design of novel Geldanamycin analogue hsp90 alpha-inhibitor in silico for breast cancer therapy.
Mahanta S; Pilla S; Paul S
Med Hypotheses; 2013 Sep; 81(3):463-9. PubMed ID: 23860250
[TBL] [Abstract][Full Text] [Related]
13. In silico identification and analysis of the binding site for aminocoumarin type inhibitors in the C-terminal domain of Hsp90.
Roy SS; Kapoor M
J Mol Graph Model; 2018 Sep; 84():215-235. PubMed ID: 30031951
[TBL] [Abstract][Full Text] [Related]
14. Insight into natural inhibitors and bridging docking to dynamic simulation against sugar Isomerase (SIS) domain protein.
Ahmad F; Shabaz Z; Azam SS
J Mol Model; 2020 Aug; 26(8):221. PubMed ID: 32748070
[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. Identification of Selective Novel Hits against
Nyamai DW; Tastan Bishop Ö
Int J Mol Sci; 2020 May; 21(11):. PubMed ID: 32471245
[TBL] [Abstract][Full Text] [Related]
17. Identification of the naphthoquinone derivative inhibitors binding site in heat shock protein 90: an induced-fit docking, molecular dynamics and 3D-QSAR study.
Godoy-Castillo C; Bravo-Acuña N; Arriagada G; Faunes F; León R; Soto-Delgado J
J Biomol Struct Dyn; 2021 Oct; 39(16):5977-5987. PubMed ID: 32799638
[TBL] [Abstract][Full Text] [Related]
18. Identification of Novel Natural Dual HDAC and Hsp90 Inhibitors for Metastatic TNBC Using e-Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Studies.
AbdElmoniem N; H Abdallah M; M Mukhtar R; Moutasim F; Rafie Ahmed A; Edris A; Ibraheem W; Makki AA; M Elshamly E; Elhag R; Osman W; A Mothana R; Alzain AA
Molecules; 2023 Feb; 28(4):. PubMed ID: 36838758
[TBL] [Abstract][Full Text] [Related]
19. Design and synthesis of pyrimidinyl acyl thioureas as novel Hsp90 inhibitors in invasive ductal breast cancer and its bone metastasis.
Koca İ; Özgür A; Er M; Gümüş M; Açikalin Coşkun K; Tutar Y
Eur J Med Chem; 2016 Oct; 122():280-290. PubMed ID: 27376491
[TBL] [Abstract][Full Text] [Related]
20. Understanding conformational diversity of heat shock protein 90 (HSP90) and binding features of inhibitors to HSP90 via molecular dynamics simulations.
Yan F; Liu X; Zhang S; Zhang Q; Chen J
Chem Biol Drug Des; 2020 Jan; 95(1):87-103. PubMed ID: 31560152
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]