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 *

477 related articles for article (PubMed ID: 32898834)

  • 1. Ligand-based pharmacophore modelling and virtual screening for the identification of amyloid-beta diagnostic molecules.
    Marondedze EF; Govender KK; Govender PP
    J Mol Graph Model; 2020 Dec; 101():107711. PubMed ID: 32898834
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Pharmacophore based 3D-QSAR modeling, virtual screening and docking for identification of potential inhibitors of β-secretase.
    Palakurti R; Vadrevu R
    Comput Biol Chem; 2017 Jun; 68():107-117. PubMed ID: 28288354
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Structural Investigation of Vinca Domain Tubulin Binders by Pharmacophore, Atom based QSAR, Docking and Molecular Dynamics Simulations.
    Athar M; Lone MY; Khedkar VM; Radadiya A; Shah A; Jha PC
    Comb Chem High Throughput Screen; 2017; 20(8):682-695. PubMed ID: 28486912
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Pharmacophore generation, atom-based 3D-QSAR, molecular docking and molecular dynamics simulation studies on benzamide analogues as FtsZ inhibitors.
    Tripathy S; Azam MA; Jupudi S; Sahu SK
    J Biomol Struct Dyn; 2018 Sep; 36(12):3218-3230. PubMed ID: 28938860
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Identification of potential PKC inhibitors through pharmacophore designing, 3D-QSAR and molecular dynamics simulations targeting Alzheimer's disease.
    Iqbal S; Anantha Krishnan D; Gunasekaran K
    J Biomol Struct Dyn; 2018 Nov; 36(15):4029-4044. PubMed ID: 29182053
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Deciphering the Interactions of Bioactive Compounds in Selected Traditional Medicinal Plants against Alzheimer's Diseases via Pharmacophore Modeling, Auto-QSAR, and Molecular Docking Approaches.
    Ojo OA; Ojo AB; Okolie C; Nwakama MC; Iyobhebhe M; Evbuomwan IO; Nwonuma CO; Maimako RF; Adegboyega AE; Taiwo OA; Alsharif KF; Batiha GE
    Molecules; 2021 Apr; 26(7):. PubMed ID: 33915968
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A combination of pharmacophore modeling, atom-based 3D-QSAR, molecular docking and molecular dynamics simulation studies on PDE4 enzyme inhibitors.
    Tripuraneni NS; Azam MA
    J Biomol Struct Dyn; 2016 Nov; 34(11):2481-92. PubMed ID: 26587754
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Identification of coumarin derivatives targeting acetylcholinesterase for Alzheimer's disease by field-based 3D-QSAR, pharmacophore model-based virtual screening, molecular docking, MM/GBSA, ADME and MD Simulation study.
    Saha B; Das A; Jangid K; Kumar A; Kumar V; Jaitak V
    Curr Res Struct Biol; 2024; 7():100124. PubMed ID: 38292820
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Pharmacophore-based virtual screening, 3D QSAR, Docking, ADMET, and MD simulation studies: An in silico perspective for the identification of new potential HDAC3 inhibitors.
    Lanka G; Begum D; Banerjee S; Adhikari N; P Y; Ghosh B
    Comput Biol Med; 2023 Nov; 166():107481. PubMed ID: 37741229
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Ligand-based and e-pharmacophore modeling, 3D-QSAR and hierarchical virtual screening to identify dual inhibitors of spleen tyrosine kinase (Syk) and janus kinase 3 (JAK3).
    Kaur M; Silakari O
    J Biomol Struct Dyn; 2017 Nov; 35(14):3043-3060. PubMed ID: 27678281
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Cheminformatic modelling of β-amyloid aggregation inhibitory activity against Alzheimer's disease.
    Kumar V; Ojha PK; Saha A; Roy K
    Comput Biol Med; 2020 Mar; 118():103658. PubMed ID: 32174326
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Exploration of the structural requirements of HIV-protease inhibitors using pharmacophore, virtual screening and molecular docking approaches for lead identification.
    Islam MA; Pillay TS
    J Mol Graph Model; 2015 Mar; 56():20-30. PubMed ID: 25541527
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Pharmacophore- based virtual screening, 3D- QSAR, molecular docking approach for identification of potential dipeptidyl peptidase IV inhibitors.
    Shah BM; Modi P; Trivedi P
    J Biomol Struct Dyn; 2021 Apr; 39(6):2021-2043. PubMed ID: 32242496
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Pharmacophore Modeling and 3D-QSAR Study of Indole and Isatin Derivatives as Antiamyloidogenic Agents Targeting Alzheimer's Disease.
    Purgatorio R; Gambacorta N; Catto M; de Candia M; Pisani L; Espargaró A; Sabaté R; Cellamare S; Nicolotti O; Altomare CD
    Molecules; 2020 Dec; 25(23):. PubMed ID: 33297547
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Identification of selective MMP-9 inhibitors through multiple e-pharmacophore, ligand-based pharmacophore, molecular docking, and density functional theory approaches.
    Jana S; Singh SK
    J Biomol Struct Dyn; 2019 Mar; 37(4):944-965. PubMed ID: 29475408
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Discovery of potential Aurora-A kinase inhibitors by 3D QSAR pharmacophore modeling, virtual screening, docking, and MD simulation studies.
    Swamy P M G; Abbas N; Dhiwar PS; Singh E; Ghara A; Das A
    J Biomol Struct Dyn; 2023 Jan; 41(1):125-146. PubMed ID: 34809538
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Design, 3D QSAR modeling and docking of TGF-β type I inhibitors to target cancer.
    Ajay Kumar TV; Athavan AAS; Loganathan C; Saravanan K; Kabilan S; Parthasarathy V
    Comput Biol Chem; 2018 Oct; 76():232-244. PubMed ID: 30077902
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Pharmacophore-based virtual screening approach for identification of potent natural modulatory compounds of human Toll-like receptor 7.
    Gupta CL; Babu Khan M; Ampasala DR; Akhtar S; Dwivedi UN; Bajpai P
    J Biomol Struct Dyn; 2019 Nov; 37(18):4721-4736. PubMed ID: 30661449
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 24.