BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

264 related articles for article (PubMed ID: 34662260)

  • 1. Exploring the interaction mechanism between potential inhibitor and multi-target Mur enzymes of mycobacterium tuberculosis using molecular docking, molecular dynamics simulation, principal component analysis, free energy landscape, dynamic cross-correlation matrices, vector movements, and binding free energy calculation.
    Kumari M; Singh R; Subbarao N
    J Biomol Struct Dyn; 2022; 40(24):13497-13526. PubMed ID: 34662260
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Identification of novel multitarget antitubercular inhibitors against mycobacterial peptidoglycan biosynthetic Mur enzymes by structure-based virtual screening.
    Kumari M; Subbarao N
    J Biomol Struct Dyn; 2022 Nov; 40(18):8185-8196. PubMed ID: 33826470
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Discovery of multi-target mur enzymes inhibitors with anti-mycobacterial activity through a Scaffold approach.
    Kumari M; Waseem M; Subbarao N
    J Biomol Struct Dyn; 2023 Apr; 41(7):2878-2899. PubMed ID: 35174764
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Screening of Antitubercular Compound Library Identifies Inhibitors of Mur Enzymes in
    Eniyan K; Rani J; Ramachandran S; Bhat R; Khan IA; Bajpai U
    SLAS Discov; 2020 Jan; 25(1):70-78. PubMed ID: 31597510
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Computer aided ligand based screening for identification of promising molecules against enzymes involved in peptidoglycan biosynthetic pathway from Acinetobacter baumannii.
    Amera GM; Khan RJ; Pathak A; Jha RK; Muthukumaran J; Singh AK
    Microb Pathog; 2020 Oct; 147():104205. PubMed ID: 32353580
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Repurposing of FDA-approved drugs to target MurB and MurE enzymes in
    Rani J; Silla Y; Borah K; Ramachandran S; Bajpai U
    J Biomol Struct Dyn; 2020 Jun; 38(9):2521-2532. PubMed ID: 31244382
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A comparative modeling and molecular docking study on Mycobacterium tuberculosis targets involved in peptidoglycan biosynthesis.
    Fakhar Z; Naiker S; Alves CN; Govender T; Maguire GE; Lameira J; Lamichhane G; Kruger HG; Honarparvar B
    J Biomol Struct Dyn; 2016 Nov; 34(11):2399-417. PubMed ID: 26612108
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Benzene-1,3-dicarboxylic acid 2,5-dimethylpyrrole derivatives as multiple inhibitors of bacterial Mur ligases (MurC-MurF).
    Perdih A; Hrast M; Barreteau H; Gobec S; Wolber G; Solmajer T
    Bioorg Med Chem; 2014 Aug; 22(15):4124-34. PubMed ID: 24953950
    [TBL] [Abstract][Full Text] [Related]  

  • 9. The molecular docking and molecular dynamics study of flavonol synthase and flavonoid 3'-monooxygenase enzymes involved for the enrichment of kaempferol.
    Kumari G; Nigam VK; Pandey DM
    J Biomol Struct Dyn; 2023 Apr; 41(6):2478-2491. PubMed ID: 35105279
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Molecular dynamics simulation, free energy landscape and binding free energy computations in exploration the anti-invasive activity of amygdalin against metastasis.
    Al-Khafaji K; Taskin Tok T
    Comput Methods Programs Biomed; 2020 Oct; 195():105660. PubMed ID: 32726718
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Homology modeling and docking analyses of M. leprae Mur ligases reveals the common binding residues for structure based drug designing to eradicate leprosy.
    Shanmugam A; Natarajan J
    J Mol Model; 2012 Jun; 18(6):2659-72. PubMed ID: 22102165
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Identification of Ideal Multi-targeting Bioactive Compounds Against Mur Ligases of Enterobacter aerogenes and Its Binding Mechanism in Comparison with Chemical Inhibitors.
    Chakkyarath V; Natarajan J
    Interdiscip Sci; 2019 Mar; 11(1):135-144. PubMed ID: 29086207
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Identification of new benzamide inhibitor against α-subunit of tryptophan synthase from Mycobacterium tuberculosis through structure-based virtual screening, anti-tuberculosis activity and molecular dynamics simulations.
    Naz S; Farooq U; Ali S; Sarwar R; Khan S; Abagyan R
    J Biomol Struct Dyn; 2019 Mar; 37(4):1043-1053. PubMed ID: 29502488
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Characterisation of ATP-dependent Mur ligases involved in the biogenesis of cell wall peptidoglycan in Mycobacterium tuberculosis.
    Munshi T; Gupta A; Evangelopoulos D; Guzman JD; Gibbons S; Keep NH; Bhakta S
    PLoS One; 2013; 8(3):e60143. PubMed ID: 23555903
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Furan-based benzene mono- and dicarboxylic acid derivatives as multiple inhibitors of the bacterial Mur ligases (MurC-MurF): experimental and computational characterization.
    Perdih A; Hrast M; Pureber K; Barreteau H; Grdadolnik SG; Kocjan D; Gobec S; Solmajer T; Wolber G
    J Comput Aided Mol Des; 2015 Jun; 29(6):541-60. PubMed ID: 25851408
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Complex Formation between Mur Enzymes from
    Miyachiro MM; Granato D; Trindade DM; Ebel C; Paes Leme AF; Dessen A
    Biochemistry; 2019 Jul; 58(30):3314-3324. PubMed ID: 31264408
    [TBL] [Abstract][Full Text] [Related]  

  • 17. The Mur Enzymes Chink in the Armour of Mycobacterium tuberculosis cell wall.
    Shinde Y; Ahmad I; Surana S; Patel H
    Eur J Med Chem; 2021 Oct; 222():113568. PubMed ID: 34118719
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Targeting protein tyrosine phosphatase to unravel possible inhibitors for Streptococcus pneumoniae using molecular docking, molecular dynamics simulations coupled with free energy calculations.
    Zaman Z; Khan S; Nouroz F; Farooq U; Urooj A
    Life Sci; 2021 Jan; 264():118621. PubMed ID: 33164832
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Virtual screening to identify novel potential inhibitors for Glutamine synthetase of
    Kumari M; Subbarao N
    J Biomol Struct Dyn; 2020 Oct; 38(17):5062-5080. PubMed ID: 31755360
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Differential flap dynamics in l,d-transpeptidase2 from mycobacterium tuberculosis revealed by molecular dynamics.
    Fakhar Z; Govender T; Maguire GEM; Lamichhane G; Walker RC; Kruger HG; Honarparvar B
    Mol Biosyst; 2017 Jun; 13(6):1223-1234. PubMed ID: 28480928
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.