BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

166 related articles for article (PubMed ID: 37626747)

  • 1. Machine Learning-Based Virtual Screening and Molecular Simulation Approaches Identified Novel Potential Inhibitors for Cancer Therapy.
    Shahab M; Zheng G; Khan A; Wei D; Novikov AS
    Biomedicines; 2023 Aug; 11(8):. PubMed ID: 37626747
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Machine Learning-based Virtual Screening for STAT3 Anticancer Drug Target.
    Wadood A; Ajmal A; Junaid M; Rehman AU; Uddin R; Azam SS; Khan AZ; Ali A
    Curr Pharm Des; 2022; 28(36):3023-3032. PubMed ID: 35909285
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Machine learning-based drug design for identification of thymidylate kinase inhibitors as a potential anti-Mycobacterium tuberculosis.
    Shahab M; Danial M; Duan X; Khan T; Liang C; Gao H; Chen M; Wang D; Zheng G
    J Biomol Struct Dyn; 2024 May; 42(8):3874-3886. PubMed ID: 37232453
    [TBL] [Abstract][Full Text] [Related]  

  • 4. In Silico Prediction of New Inhibitors for Kirsten Rat Sarcoma G12D Cancer Drug Target Using Machine Learning-Based Virtual Screening, Molecular Docking, and Molecular Dynamic Simulation Approaches.
    Ajmal A; Danial M; Zulfat M; Numan M; Zakir S; Hayat C; Alabbosh KF; Zaki MEA; Ali A; Wei D
    Pharmaceuticals (Basel); 2024 Apr; 17(5):. PubMed ID: 38794122
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Machine learning and molecular simulation-based protocols to identify novel potential inhibitors for reverse transcriptase against HIV infections.
    Shahab M; Zheng G; Bin Jardan YA; Bourhia M
    J Biomol Struct Dyn; 2024 Feb; ():1-14. PubMed ID: 38379294
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Discovering the Active Ingredients of Medicine and Food Homologous Substances for Inhibiting the Cyclooxygenase-2 Metabolic Pathway by Machine Learning Algorithms.
    Tian Y; Zhang Z; Yan A
    Molecules; 2023 Sep; 28(19):. PubMed ID: 37836625
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Molecular Modeling and Design Studies of Purine Derivatives as Novel CDK2 Inhibitors.
    Zhang G; Ren Y
    Molecules; 2018 Nov; 23(11):. PubMed ID: 30423939
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Prospective virtual screening combined with bio-molecular simulation enabled identification of new inhibitors for the KRAS drug target.
    Ajmal A; Alkhatabi HA; Alreemi RM; Alamri MA; Khalid A; Abdalla AN; Alotaibi BS; Wadood A
    BMC Chem; 2024 Mar; 18(1):57. PubMed ID: 38528576
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Evaluation of Benzamide-Chalcone Derivatives as EGFR/CDK2 Inhibitor: Synthesis, In-Vitro Inhibition, and Molecular Modeling Studies.
    Joshi A; Bhojwani H; Wagal O; Begwani K; Joshi U; Sathaye S; Kanchan D
    Anticancer Agents Med Chem; 2022; 22(2):328-343. PubMed ID: 33858315
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Identification of novel CDK2 inhibitors by a multistage virtual screening method based on SVM, pharmacophore and docking model.
    Liang JW; Wang MY; Wang S; Li SL; Li WQ; Meng FH
    J Enzyme Inhib Med Chem; 2020 Dec; 35(1):235-244. PubMed ID: 31760818
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Design of small molecules for CDK-2 inhibition in colorectal cancer based on substructure search.
    Ogbodo UC; Salimat S; Bodun DS; Balogun TA; Omoboyowa DA
    J Biomol Struct Dyn; 2023 Dec; ():1-11. PubMed ID: 38088360
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Application of Machine Learning Techniques to Predict Binding Affinity for Drug Targets: A Study of Cyclin-Dependent Kinase 2.
    Bitencourt-Ferreira G; Duarte da Silva A; Filgueira de Azevedo W
    Curr Med Chem; 2021; 28(2):253-265. PubMed ID: 31729287
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Identification of Novel Cyclin A2 Binding Site and Nanomolar Inhibitors of Cyclin A2-CDK2 Complex.
    Kim SS; Alves MJ; Gygli P; Otero J; Lindert S
    Curr Comput Aided Drug Des; 2021; 17(1):57-68. PubMed ID: 31889491
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Structure-based pharmacophore modeling, virtual screening and simulation studies for the identification of potent anticancerous phytochemical lead targeting cyclin-dependent kinase 2.
    Sharma M; Sharma N; Muddassir M; Rahman QI; Dwivedi UN; Akhtar S
    J Biomol Struct Dyn; 2022; 40(20):9815-9832. PubMed ID: 34151738
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Fusion of Structure and Ligand Based Methods for Identification of Novel CDK2 Inhibitors.
    Mahajan P; Chashoo G; Gupta M; Kumar A; Singh PP; Nargotra A
    J Chem Inf Model; 2017 Aug; 57(8):1957-1969. PubMed ID: 28723151
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Developing a Naïve Bayesian Classification Model with PI3Kγ structural features for virtual screening against PI3Kγ: Combining molecular docking and pharmacophore based on multiple PI3Kγ conformations.
    Jiang Y; Xiong W; Jia L; Xu L; Cai Y; Chen Y; Jin J; Gao M; Zhu J
    Eur J Med Chem; 2022 Dec; 244():114824. PubMed ID: 36257282
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Identification of a Chlorogenic Ester as a Monoamine Oxidase (MAO-B) Inhibitor by Integrating "Traditional and Machine Learning" Virtual Screening and In Vitro as well as In Vivo Validation: A Lead against Neurodegenerative Disorders?
    Dhanabalan AK; Subaraja M; Palanichamy K; Velmurugan D; Gunasekaran K
    ACS Chem Neurosci; 2021 Oct; 12(19):3690-3707. PubMed ID: 34553601
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Enrichment of chemical libraries docked to protein conformational ensembles and application to aldehyde dehydrogenase 2.
    Wang B; Buchman CD; Li L; Hurley TD; Meroueh SO
    J Chem Inf Model; 2014 Jul; 54(7):2105-16. PubMed ID: 24856086
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Identification of kinase inhibitors that rule out the CYP27B1-mediated activation of vitamin D: an integrated machine learning and structure-based drug designing approach.
    Mahajan K; Verma H; Choudhary S; Raju B; Silakari O
    Mol Divers; 2021 Aug; 25(3):1617-1641. PubMed ID: 34272637
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Eco-friendly sequential one-pot synthesis, molecular docking, and anticancer evaluation of arylidene-hydrazinyl-thiazole derivatives as CDK2 inhibitors.
    El-Naggar AM; El-Hashash MA; Elkaeed EB
    Bioorg Chem; 2021 Mar; 108():104615. PubMed ID: 33484942
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.