These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

120 related articles for article (PubMed ID: 31542999)

  • 1. In silico design novel vibsanin B derivatives as inhibitor for heat shock protein 90 based on 3D-QSAR, molecular docking and molecular dynamics simulation.
    He Q; Chu H; Wang Y; Guo H; Wang Y; Wang S; Feng Z; Xie XQ; Hu Y; Liu H; Lin Z
    J Biomol Struct Dyn; 2020 Sep; 38(14):4313-4324. PubMed ID: 31542999
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Combined pharmacophore modeling, 3D-QSAR and docking studies to identify novel HDAC inhibitors using drug repurposing.
    Liu J; Zhu Y; He Y; Zhu H; Gao Y; Li Z; Zhu J; Sun X; Fang F; Wen H; Li W
    J Biomol Struct Dyn; 2020 Feb; 38(2):533-547. PubMed ID: 30938574
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Probing the binding mechanism of substituted pyridine derivatives as effective and selective lysine-specific demethylase 1 inhibitors using 3D-QSAR, molecular docking and molecular dynamics simulations.
    Wang ZZ; Yang J; Sun XD; Ma CY; Gao QB; Ding L; Liu HM
    J Biomol Struct Dyn; 2019 Aug; 37(13):3482-3495. PubMed ID: 30175693
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Structure-activity relationship, molecular docking, and molecular dynamic studies of diterpenes from marine natural products with anti-HIV activity.
    vonRanke NL; Ribeiro MMJ; Miceli LA; de Souza NP; Abrahim-Vieira BA; Castro HC; Teixeira VL; Rodrigues CR; Souza AMT
    J Biomol Struct Dyn; 2022 Apr; 40(7):3185-3195. PubMed ID: 33183161
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 3D-QSAR, molecular docking, and molecular dynamics simulation of a novel thieno[3,4-d]pyrimidine inhibitor targeting human immunodeficiency virus type 1 reverse transcriptase.
    Chu H; He QX; Wang JW; Deng YT; Wang J; Hu Y; Wang YQ; Lin ZH
    J Biomol Struct Dyn; 2020 Sep; 38(15):4567-4578. PubMed ID: 31760877
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 2D- and 3D-QSAR modelling, molecular docking and
    Shukla A; Tyagi R; Meena S; Datta D; Srivastava SK; Khan F
    J Biomol Struct Dyn; 2020 Jan; 38(1):168-185. PubMed ID: 30686140
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Virtual identification of novel peroxisome proliferator-activated receptor (PPAR) α/δ dual antagonist by 3D-QSAR, molecule docking, and molecule dynamics simulation.
    Liu YY; Ding TT; Feng XY; Xu WR; Cheng XC
    J Biomol Struct Dyn; 2020 Sep; 38(14):4143-4161. PubMed ID: 31556349
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Design of novel dopamine D
    Zhang C; Li Q; Meng L; Ren Y
    J Biomol Struct Dyn; 2020 Feb; 38(3):860-885. PubMed ID: 30916624
    [TBL] [Abstract][Full Text] [Related]  

  • 10.
    Hammoudi NE; Benguerba Y; Attoui A; Hognon C; Lemaoui T; Sobhi W; Benaicha M; Badawi M; Monari A
    J Biomol Struct Dyn; 2022 Feb; 40(2):886-902. PubMed ID: 32948119
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Structure based virtual screening, 3D-QSAR, molecular dynamics and ADMET studies for selection of natural inhibitors against structural and non-structural targets of Chikungunya.
    Vora J; Patel S; Sinha S; Sharma S; Srivastava A; Chhabria M; Shrivastava N
    J Biomol Struct Dyn; 2019 Aug; 37(12):3150-3161. PubMed ID: 30114965
    [TBL] [Abstract][Full Text] [Related]  

  • 12.
    Radan M; Ruzic D; Antonijevic M; Djikic T; Nikolic K
    J Biomol Struct Dyn; 2021 Mar; 39(5):1819-1837. PubMed ID: 32141385
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 3D-QSARs and molecular dynamics simulation studies on induced fit binding of flavones to human aldose reductase.
    Mu Y; Yang M; Li H; Wu F; Luo S
    J Biomol Struct Dyn; 2020 Mar; 38(4):1234-1241. PubMed ID: 30880629
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Identification of potential leukocyte antigen-related protein (PTP-LAR) inhibitors through 3D QSAR pharmacophore-based virtual screening and molecular dynamics simulation.
    Du S; Yang B; Wang X; Li WY; Lu XH; Zheng ZH; Ma Y; Wang RL
    J Biomol Struct Dyn; 2020 Sep; 38(14):4232-4245. PubMed ID: 31588870
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 3D-QSAR-aided design of potent c-Met inhibitors using molecular dynamics simulation and binding free energy calculation.
    Balasubramanian PK; Balupuri A; Bhujbal SP; Cho SJ
    J Biomol Struct Dyn; 2019 May; 37(8):2165-2178. PubMed ID: 30044205
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Exploring the structural determinants of novel xanthine derivatives as A
    Yang Y; Li Y; Zhou W; Chen Y; Wu Q; Pan Y; Zhang S; Yang L
    J Biomol Struct Dyn; 2019 Aug; 37(13):3467-3481. PubMed ID: 30175951
    [TBL] [Abstract][Full Text] [Related]  

  • 17. The systematic modeling studies and free energy calculations of the phenazine compounds as anti-tuberculosis agents.
    Wang Y; Khan A; Chandra Kaushik A; Junaid M; Zhang X; Wei DQ
    J Biomol Struct Dyn; 2019 Sep; 37(15):4051-4069. PubMed ID: 30332914
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Pharmacophore modeling, molecular docking and molecular dynamics simulation for screening and identifying anti-dengue phytocompounds.
    Vora J; Patel S; Athar M; Sinha S; Chhabria MT; Jha PC; Shrivastava N
    J Biomol Struct Dyn; 2020 Apr; 38(6):1726-1740. PubMed ID: 31057055
    [TBL] [Abstract][Full Text] [Related]  

  • 19. An insight into selective and potent inhibition of histone deacetylase 8 through induced-fit docking, pharmacophore modeling and QSAR studies.
    Kashyap K; Kakkar R
    J Biomol Struct Dyn; 2020 Jan; 38(1):48-65. PubMed ID: 30633630
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Predictive models for designing potent tyrosine kinase inhibitors in chronic myeloid leukemia for understanding its molecular mechanism of resistance by molecular docking and dynamics simulations.
    Melge AR; Kumar LG; K P; Nair SV; K M; C GM
    J Biomol Struct Dyn; 2019 Nov; 37(18):4747-4766. PubMed ID: 30580670
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.