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 *

132 related articles for article (PubMed ID: 36387058)

  • 1. Molecular docking-based virtual screening, molecular dynamic simulation, and 3-D QSAR modeling of some pyrazolopyrimidine analogs as potent anti-filarial agents.
    Ugbe FA; Shallangwa GA; Uzairu A; Abdulkadir I
    In Silico Pharmacol; 2022; 10(1):21. PubMed ID: 36387058
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Theoretical modeling and design of some pyrazolopyrimidine derivatives as
    Ugbe FA; Shallangwa GA; Uzairu A; Abdulkadir I
    In Silico Pharmacol; 2022; 10(1):8. PubMed ID: 35539006
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Identification of anti-filarial leads against aspartate semialdehyde dehydrogenase of Wolbachia endosymbiont of Brugia malayi: combined molecular docking and molecular dynamics approaches.
    Amala M; Rajamanikandan S; Prabhu D; Surekha K; Jeyakanthan J
    J Biomol Struct Dyn; 2019 Feb; 37(2):394-410. PubMed ID: 29334340
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Computational design, molecular properties, ADME, and toxicological analysis of substituted 2,6-diarylidene cyclohexanone analogs as potent pyridoxal kinase inhibitors.
    Ugbe FA; Shallangwa GA; Uzairu A; Abdulkadir I
    In Silico Pharmacol; 2023; 11(1):6. PubMed ID: 36968686
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Identification of potent aldose reductase inhibitors as antidiabetic (Anti-hyperglycemic) agents using QSAR based virtual Screening, molecular Docking, MD simulation and MMGBSA approaches.
    Bakal RL; Jawarkar RD; Manwar JV; Jaiswal MS; Ghosh A; Gandhi A; Zaki MEA; Al-Hussain S; Samad A; Masand VH; Mukerjee N; Nasir Abbas Bukhari S; Sharma P; Lewaa I
    Saudi Pharm J; 2022 Jun; 30(6):693-710. PubMed ID: 35812153
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Computational screening of potential inhibitors targeting MurF of Brugia malayi Wolbachia through multi-scale molecular docking, molecular dynamics and MM-GBSA analysis.
    Poopandi S; Sundaraj R; Rajmichael R; Thangaraj S; Dhamodharan P; Biswal J; Malaisamy V; Jeyaraj Pandian C; Jeyaraman J
    Mol Biochem Parasitol; 2021 Nov; 246():111427. PubMed ID: 34666103
    [TBL] [Abstract][Full Text] [Related]  

  • 7. QSAR, homology modeling, and docking simulation on SARS-CoV-2 and pseudomonas aeruginosa inhibitors, ADMET, and molecular dynamic simulations to find a possible oral lead candidate.
    Edache EI; Uzairu A; Mamza PA; Shallangwa GA
    J Genet Eng Biotechnol; 2022 Dec; 20():88. PubMed ID: 35730025
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Computational modelling studies of some 1,3-thiazine derivatives as anti-influenza inhibitors targeting H1N1 neuraminidase via 2D-QSAR, 3D-QSAR, molecular docking, and ADMET predictions.
    Abdullahi M; Uzairu A; Shallangwa GA; Mamza PA; Ibrahim MT
    Beni Suef Univ J Basic Appl Sci; 2022; 11(1):104. PubMed ID: 36000144
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Investigation of the New Inhibitors by Sulfadiazine and Modified Derivatives of α-D-glucopyranoside for White Spot Syndrome Virus Disease of Shrimp by In Silico: Quantum Calculations, Molecular Docking, ADMET and Molecular Dynamics Study.
    Kumer A; Chakma U; Rana MM; Chandro A; Akash S; Elseehy MM; Albogami S; El-Shehawi AM
    Molecules; 2022 Jun; 27(12):. PubMed ID: 35744817
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Virtual screening of acetylcholinesterase inhibitors through pharmacophore-based 3D-QSAR modeling, ADMET, molecular docking, and MD simulation studies.
    Kumar H; Datusalia AK; Khatik GL
    In Silico Pharmacol; 2024; 12(1):13. PubMed ID: 38370859
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Ligand-based drug design of quinazolin-4(3H)-ones as breast cancer inhibitors using QSAR modeling, molecular docking, and pharmacological profiling.
    Abdullahi SH; Uzairu A; Shallangwa GA; Uba S; Umar AB
    J Egypt Natl Canc Inst; 2023 Aug; 35(1):24. PubMed ID: 37544974
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Identification of novel PI3Kδ inhibitors by docking, ADMET prediction and molecular dynamics simulations.
    Liu YY; Feng XY; Jia WQ; Jing Z; Xu WR; Cheng XC
    Comput Biol Chem; 2019 Feb; 78():190-204. PubMed ID: 30557817
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Andrographolide-based potential anti-inflammatory transcription inhibitors against nuclear factor NF-kappa-B p50 subunit (NF-κB p50): an integrated molecular and quantum mechanical approach.
    Jain P; Sudandiradoss C
    3 Biotech; 2023 Jan; 13(1):15. PubMed ID: 36540414
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Ligand based-design of potential schistosomiasis inhibitors through QSAR, homology modeling, molecular dynamics, pharmacokinetics, and DFT studies.
    Ja'afaru SC; Uzairu A; Chandra A; Sallau MS; Ndukwe GI; Ibrahim MT; Qamar I
    J Taibah Univ Med Sci; 2024 Apr; 19(2):429-446. PubMed ID: 38440085
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Development of Pyrazolopyrimidine Anti-
    McGillan P; Berry NG; Nixon GL; Leung SC; Webborn PJH; Wenlock MC; Kavanagh S; Cassidy A; Clare RH; Cook DA; Johnston KL; Ford L; Ward SA; Taylor MJ; Hong WD; O'Neill PM
    ACS Med Chem Lett; 2021 Sep; 12(9):1421-1426. PubMed ID: 34527179
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. Identification of Potent Small-Molecule PCSK9 Inhibitors Based on Quantitative Structure-Activity Relationship, Pharmacophore Modeling, and Molecular Docking Procedure.
    Mahmoudi A; Butler AE; Banach M; Jamialahmadi T; Sahebkar A
    Curr Probl Cardiol; 2023 Jun; 48(6):101660. PubMed ID: 36841313
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Pharmacophore modeling, multiple docking, and molecular dynamics studies on Wee1 kinase inhibitors.
    Hu Y; Zhou L; Zhu X; Dai D; Bao Y; Qiu Y
    J Biomol Struct Dyn; 2019 Jul; 37(10):2703-2715. PubMed ID: 30052133
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 7.