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 *

311 related articles for article (PubMed ID: 37630311)

  • 1. mPGES-1 Inhibitor Discovery Based on Computer-Aided Screening: Pharmacophore Models, Molecular Docking, ADMET, and MD Simulations.
    Huang Q; Lai T; Wang Q; Luo L
    Molecules; 2023 Aug; 28(16):. PubMed ID: 37630311
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Virtual screening, molecular simulations and bioassays: Discovering novel microsomal prostaglandin E Synthase-1 (mPGES-1) inhibitors.
    Babaoglu ZY; Kilic D
    Comput Biol Med; 2023 Mar; 155():106616. PubMed ID: 36780799
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Epigallocatechin gallate and curcumin inhibit Bcl-2: a pharmacophore and docking based approach against cancer.
    Bahadar N; Bahadar S; Sajid A; Wahid M; Ali G; Alghamdi A; Zada H; Khan T; Ullah S; Sun Q
    Breast Cancer Res; 2024 Jul; 26(1):114. PubMed ID: 38978121
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Identification of RdRp inhibitors against SARS-CoV-2 through E-pharmacophore-based virtual screening, molecular docking and MD simulations approaches.
    Rehman HM; Sajjad M; Ali MA; Gul R; Naveed M; Aslam MS; Shinwari K; Bhinder MA; Ghani MU; Saleem M; Rather MA; Ahmad I; Amin A
    Int J Biol Macromol; 2023 May; 237():124169. PubMed ID: 36990409
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Identification of novel discoidin domain receptor 1 (DDR1) inhibitors using E-pharmacophore modeling, structure-based virtual screening, molecular dynamics simulation and MM-GBSA approaches.
    Nada H; Lee K; Gotina L; Pae AN; Elkamhawy A
    Comput Biol Med; 2022 Mar; 142():105217. PubMed ID: 35032738
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Pharmacophore based virtual screening for identification of effective inhibitors to combat HPV 16 E6 driven cervical cancer.
    Mohan A; Krishnamoorthy S; Sabanayagam R; Schwenk G; Feng E; Ji HF; Muthusami S
    Eur J Pharmacol; 2023 Oct; 957():175961. PubMed ID: 37549730
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Targeting the NF-κB/IκBα complex via fragment-based E-Pharmacophore virtual screening and binary QSAR models.
    Kanan T; Kanan D; Erol I; Yazdi S; Stein M; Durdagi S
    J Mol Graph Model; 2019 Jan; 86():264-277. PubMed ID: 30415122
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. A Multi-step Virtual Screening Protocol for the Identification of Novel Non-acidic Microsomal Prostaglandin E
    Shekfeh S; Çalışkan B; Fischer K; Yalçın T; Garscha U; Werz O; Banoglu E
    ChemMedChem; 2019 Jan; 14(2):273-281. PubMed ID: 30537167
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Modulation of NRF2/KEAP1-Mediated Oxidative Stress for Cancer Treatment by Natural Products Using Pharmacophore-Based Screening, Molecular Docking, and Molecular Dynamics Studies.
    Alzain AA; Mukhtar RM; Abdelmoniem N; Shoaib TH; Osman W; Alsulaimany M; Aljohani AKB; Almadani SA; Alsaadi BH; Althubyani MM; Mohamed SGA; Mohamed GA; Ibrahim SRM
    Molecules; 2023 Aug; 28(16):. PubMed ID: 37630254
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Virtual screening of small molecules databases for discovery of novel PARP-1 inhibitors: combination of in silico and in vitro studies.
    Ekhteiari Salmas R; Unlu A; Bektaş M; Yurtsever M; Mestanoglu M; Durdagi S
    J Biomol Struct Dyn; 2017 Jul; 35(9):1899-1915. PubMed ID: 27315035
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Search for potentially biased epidermal growth factor receptor (EGFR) inhibitors through pharmacophore modelling, molecular docking, and molecular dynamics (MD) simulation approaches.
    Jethwa M; Gangopadhyay A; Saha A
    J Biomol Struct Dyn; 2023 Mar; 41(5):1681-1689. PubMed ID: 35014597
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. Potential inhibitors for FKBP51: an
    Barge S; Jade D; Ayyamperumal S; Manna P; Borah J; Nanjan CMJ; Nanjan MJ; Talukdar NC
    J Biomol Struct Dyn; 2022; 40(24):13799-13811. PubMed ID: 34709133
    [TBL] [Abstract][Full Text] [Related]  

  • 16. The Inhibitors of CDK4/6 from a Library of Marine Compound Database: A Pharmacophore, ADMET, Molecular Docking and Molecular Dynamics Study.
    Luo L; Wang Q; Liao Y
    Mar Drugs; 2022 May; 20(5):. PubMed ID: 35621970
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Multiple e-pharmacophore modelling pooled with high-throughput virtual screening, docking and molecular dynamics simulations to discover potential inhibitors of Plasmodium falciparum lactate dehydrogenase (PfLDH).
    Saxena S; Durgam L; Guruprasad L
    J Biomol Struct Dyn; 2019 Apr; 37(7):1783-1799. PubMed ID: 29718775
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Structure-based virtual screening, molecular docking, ADMET and molecular simulations to develop benzoxaborole analogs as potential inhibitor against Leishmania donovani trypanothione reductase.
    Pandey RK; Kumbhar BV; Sundar S; Kunwar A; Prajapati VK
    J Recept Signal Transduct Res; 2017 Feb; 37(1):60-70. PubMed ID: 27147242
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Identification of novel efflux pump inhibitors for Neisseria gonorrhoeae via multiple ligand-based pharmacophores, e-pharmacophore, molecular docking, density functional theory, and molecular dynamics approaches.
    Jain N; Sk MF; Mishra A; Kar P; Kumar A
    Comput Biol Chem; 2022 Jun; 98():107682. PubMed ID: 35462198
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Discovery of promising FtsZ inhibitors by E-pharmacophore, 3D-QSAR, molecular docking study, and molecular dynamics simulation.
    Qiu Y; Zhou L; Hu Y; Bao Y
    J Recept Signal Transduct Res; 2019 Apr; 39(2):154-166. PubMed ID: 31355691
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 16.