BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

262 related articles for article (PubMed ID: 35545728)

  • 21. Investigating the binding mechanism of novel 6-aminonicotinate-based antagonists with P2Y
    Zhou S; Fang D; Tan S; Lin W; Wu W; Zheng K
    J Biomol Struct Dyn; 2017 Oct; 35(13):2938-2965. PubMed ID: 27634290
    [TBL] [Abstract][Full Text] [Related]  

  • 22. 3D-QSAR, molecular docking, and molecular dynamics analysis of dihydrodiazaindolone derivatives as PARP-1 inhibitors.
    Zhao J; Yu N; Zhao X; Quan W; Shu M
    J Mol Model; 2023 Apr; 29(5):131. PubMed ID: 37020092
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Structural determination of three different series of compounds as Hsp90 inhibitors using 3D-QSAR modeling, molecular docking and molecular dynamics methods.
    Liu J; Wang F; Ma Z; Wang X; Wang Y
    Int J Mol Sci; 2011 Jan; 12(2):946-70. PubMed ID: 21541036
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Design of Novel Chemotherapeutic Agents Targeting Checkpoint Kinase 1 Using 3D-QSAR Modeling and Molecular Docking Methods.
    Balupuri A; Balasubramanian PK; Cho SJ
    Curr Comput Aided Drug Des; 2016; 12(4):302-313. PubMed ID: 27585602
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Molecular modeling studies on series of Btk inhibitors using docking, structure-based 3D-QSAR and molecular dynamics simulation: a combined approach.
    Balasubramanian PK; Balupuri A; Cho SJ
    Arch Pharm Res; 2016 Mar; 39(3):328-39. PubMed ID: 26699616
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Molecular modeling studies to characterize N-phenylpyrimidin-2-amine selectivity for CDK2 and CDK4 through 3D-QSAR and molecular dynamics simulations.
    Chohan TA; Chen JJ; Qian HY; Pan YL; Chen JZ
    Mol Biosyst; 2016 Apr; 12(4):1250-68. PubMed ID: 26883408
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Rational design of methicillin resistance staphylococcus aureus inhibitors through 3D-QSAR, molecular docking and molecular dynamics simulations.
    Ballu S; Itteboina R; Sivan SK; Manga V
    Comput Biol Chem; 2018 Apr; 73():95-104. PubMed ID: 29475176
    [TBL] [Abstract][Full Text] [Related]  

  • 28. 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]  

  • 29. 3D QSAR, Docking, Molecular Dynamics Simulations and MM-GBSA studies of Extended Side Chain of the Antitubercular Drug (6S) 2-Nitro-6- {[4-(trifluoromethoxy) benzyl] oxy}-6,7-dihydro-5H-imidazo[2,1-b] [1,3] oxazine.
    Chaudhari HK; Pahelkar A
    Infect Disord Drug Targets; 2019; 19(2):145-166. PubMed ID: 30324898
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Docking-based 3D-QSAR study of pyridyl aminothiazole derivatives as checkpoint kinase 1 inhibitors.
    Balupuri A; Balasubramanian PK; Gadhe CG; Cho SJ
    SAR QSAR Environ Res; 2014; 25(8):651-71. PubMed ID: 24911214
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Integrated computational approaches for designing potent pyrimidine-based CDK9 inhibitors: 3D-QSAR, docking, and molecular dynamics simulations.
    Habib I; Chohan TA; Chohan TA; Batool F; Khurshid U; Khursheed A; Raza A; Ansari M; Hussain A; Anwar S; Awadh Ali NA; Saleem H
    Comput Biol Chem; 2024 Feb; 108():108003. PubMed ID: 38159453
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Improved 3D-QSAR Prediction by Multiple Conformational Alignments and Molecular Docking Studies to Design and Discover HIV-I Protease Inhibitors.
    Patel PK; Bhatt HG
    Curr HIV Res; 2021; 19(2):154-171. PubMed ID: 33213349
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Development of novel monoamine oxidase B (MAO-B) inhibitors by combined application of docking-based alignment, 3D-QSAR, ADMET prediction, molecular dynamics simulation, and MM_GBSA binding free energy.
    El Aissouq A; Chedadi O; Bouachrine M; Ouammou A; Khalil F
    J Biomol Struct Dyn; 2023 Jul; 41(10):4667-4680. PubMed ID: 35510607
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Exploration of Novel Xanthine Oxidase Inhibitors Based on 1,6-Dihydropyrimidine-5-Carboxylic Acids by an Integrated in Silico Study.
    Zhai N; Wang C; Wu F; Xiong L; Luo X; Ju X; Liu G
    Int J Mol Sci; 2021 Jul; 22(15):. PubMed ID: 34360886
    [TBL] [Abstract][Full Text] [Related]  

  • 35. A mechanistic approach to explore novel HDAC1 inhibitor using pharmacophore modeling, 3D- QSAR analysis, molecular docking, density functional and molecular dynamics simulation study.
    Choubey SK; Jeyaraman J
    J Mol Graph Model; 2016 Nov; 70():54-69. PubMed ID: 27668885
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Discovery of novel BRD4-BD2 inhibitors via in silico approaches: QSAR techniques, molecular docking, and molecular dynamics simulations.
    Tong JB; Xiao XC; Luo D; Xu HY; Xing YC; Gao P; Liu Y
    Mol Divers; 2024 Apr; 28(2):671-692. PubMed ID: 36773087
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Molecular docking and 3D-QSAR study on 4-(1H-indazol-4-yl) phenylamino and aminopyrazolopyridine urea derivatives as kinase insert domain receptor (KDR) inhibitors.
    Wu X; Wu S; Chen WH
    J Mol Model; 2012 Mar; 18(3):1207-18. PubMed ID: 21695506
    [TBL] [Abstract][Full Text] [Related]  

  • 38. 3D-QSAR, molecular dynamics simulations and molecular docking studies of benzoxazepine moiety as mTOR inhibitor for the treatment of lung cancer.
    Chaube U; Chhatbar D; Bhatt H
    Bioorg Med Chem Lett; 2016 Feb; 26(3):864-874. PubMed ID: 26764189
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Identification of the Structural Features of Guanine Derivatives as MGMT Inhibitors Using 3D-QSAR Modeling Combined with Molecular Docking.
    Sun G; Fan T; Zhang N; Ren T; Zhao L; Zhong R
    Molecules; 2016 Jun; 21(7):. PubMed ID: 27347909
    [TBL] [Abstract][Full Text] [Related]  

  • 40.
    Akabli T; Toufik H; Lamchouri F
    J Biomol Struct Dyn; 2022 Jun; 40(9):3965-3978. PubMed ID: 33252029
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 14.