BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

153 related articles for article (PubMed ID: 36134605)

  • 1. Comprehensive molecular docking and dynamic simulations for drug repurposing of clinical drugs against multiple cancer kinase targets.
    Shaikh N; Linthoi RK; Swamy KV; Karthikeyan M; Vyas R
    J Biomol Struct Dyn; 2023; 41(16):7735-7743. PubMed ID: 36134605
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Drug repurposing against the RNA-dependent RNA polymerase domain of dengue serotype 3 by virtual screening and molecular dynamics simulations.
    Gangopadhyay A; Saha A
    J Biomol Struct Dyn; 2023 Jul; 41(11):5152-5165. PubMed ID: 35642087
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Benchmarked molecular docking integrated molecular dynamics stability analysis for prediction of SARS-CoV-2 papain-like protease inhibition by olive secoiridoids.
    Thangavel N; Albratty M
    J King Saud Univ Sci; 2023 Jan; 35(1):102402. PubMed ID: 36338939
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Articulating target-mining techniques to disinter Alzheimer's specific targets for drug repurposing.
    G N S HS; Marise VLP; Rajalekshmi SG; Burri RR; Krishna Murthy TP
    Comput Methods Programs Biomed; 2022 Jul; 222():106931. PubMed ID: 35724476
    [TBL] [Abstract][Full Text] [Related]  

  • 5. In silico molecular docking and dynamic simulation of eugenol compounds against breast cancer.
    Rasul HO; Aziz BK; Ghafour DD; Kivrak A
    J Mol Model; 2021 Dec; 28(1):17. PubMed ID: 34962586
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Multiscale Virtual Screening Optimization for Shotgun Drug Repurposing Using the CANDO Platform.
    Hudson ML; Samudrala R
    Molecules; 2021 Apr; 26(9):. PubMed ID: 33925237
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Computation-based virtual screening for designing novel antimalarial drugs by targeting falcipain-III: a structure-based drug designing approach.
    Kesharwani RK; Singh DV; Misra K
    J Vector Borne Dis; 2013; 50(2):93-102. PubMed ID: 23995310
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Drug Repurposing of FDA Compounds against α-Glucosidase for the Treatment of Type 2 Diabetes: Insights from Molecular Docking and Molecular Dynamics Simulations.
    Rashid RSM; Temurlu S; Abourajab A; Karsili P; Dinleyici M; Al-Khateeb B; Icil H
    Pharmaceuticals (Basel); 2023 Apr; 16(4):. PubMed ID: 37111312
    [TBL] [Abstract][Full Text] [Related]  

  • 9. In-silico investigation of RPS6KB1 associated cancer inhibitor: a drug repurposing study.
    Rajendrasozhan S; Ahmad I; Obaidur Rab S; Alshahrani MY; Abdullah Almuqri E; Ahmad Siddiqui J; Mushtaque M
    J Biomol Struct Dyn; 2024 Jan; ():1-8. PubMed ID: 38240100
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Identification of a novel inhibitor of SARS-CoV-2 3CL-PRO through virtual screening and molecular dynamics simulation.
    Bepari AK; Reza HM
    PeerJ; 2021; 9():e11261. PubMed ID: 33954055
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Chemical Characterization,
    Ansari JA; Ahmad MK; Fatima N; Azad I; Mahdi AA; Satyanarayan GNV; Ahmad N
    Anticancer Agents Med Chem; 2022; 22(20):3416-3437. PubMed ID: 35125087
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Identifying potential inhibitors of C-X-C motif chemokine ligand10 against vitiligo: structure-based virtual screening, molecular dynamics simulation, and principal component analysis.
    Khan MKA; Alouffi S; Ahmad S
    J Biomol Struct Dyn; 2023 Aug; ():1-18. PubMed ID: 37565326
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Evaluation of the dual effects of antiviral drugs on SARS-CoV-2 receptors and the ACE2 receptor using structure-based virtual screening and molecular dynamics simulation.
    Jahantigh HR; Ahmadi N; Shahbazi B; Lovreglio P; Habibi M; Stufano A; Gouklani H; Ahmadi K
    J Biomol Struct Dyn; 2023; 41(13):6051-6073. PubMed ID: 35876061
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Identification of potential Aurora kinase-C protein inhibitors: an amalgamation of energy minimization, virtual screening, prime MMGBSA and AutoDock.
    Bathula R; Lanka G; Muddagoni N; Dasari M; Nakkala S; Bhargavi M; Somadi G; Sivan SK; Rajender Potlapally S
    J Biomol Struct Dyn; 2020 May; 38(8):2314-2325. PubMed ID: 31204611
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Identification of NEK7 inhibitors: structure based virtual screening, molecular docking, density functional theory calculations and molecular dynamics simulations.
    Aziz M; Ejaz SA; Rehman HM; Alsubaie AS; Mahmoud KH; Siddique F; Al-Buriahi MS; Alrowaili ZA
    J Biomol Struct Dyn; 2023; 41(14):6894-6908. PubMed ID: 35983608
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Repurposing of approved drug molecules for viral infectious diseases: a molecular modelling approach.
    Kumar N; Sarma H; Sastry GN
    J Biomol Struct Dyn; 2022 Oct; 40(17):8056-8072. PubMed ID: 33810775
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Molecular dynamics simulation, 3D-pharmacophore and scaffold hopping analysis in the design of multi-target drugs to inhibit potential targets of COVID-19.
    Fayyazi N; Mostashari-Rad T; Ghasemi JB; Ardakani MM; Kobarfard F
    J Biomol Struct Dyn; 2022; 40(22):11787-11808. PubMed ID: 34405765
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A molecular dynamics simulations analysis of repurposing drugs for COVID-19 using bioinformatics methods.
    Ullah S; Rahman W; Ullah F; Ullah A; Jehan R; Iqbal MN; Irfan M
    J Biomol Struct Dyn; 2023 Oct; ():1-10. PubMed ID: 37882340
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Computational repurposing approach for targeting the critical spike mutations in B.1.617.2 (delta), AY.1 (delta plus) and C.37 (lambda) SARS-CoV-2 variants using exhaustive structure-based virtual screening, molecular dynamic simulations and MM-PBSA methods.
    Ebrahimi M; Karami L; Alijanianzadeh M
    Comput Biol Med; 2022 Aug; 147():105709. PubMed ID: 35728285
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Acalabrutinib as a novel hope for the treatment of breast and lung cancer: an in-silico proof of concept.
    Khaparkhuntikar K; Maji I; Gupta SK; Mahajan S; Aalhate M; Sriram A; Gupta U; Guru SK; Kulkarni P; Singh PK
    J Biomol Struct Dyn; 2024; 42(3):1469-1484. PubMed ID: 37272883
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.