186 related articles for article (PubMed ID: 36745307)
1. Integrated use of ligand and structure-based virtual screening, molecular dynamics, free energy calculation and ADME prediction for the identification of potential PTP1B inhibitors.
Devi B; Vasishta SS; Das B; Baidya ATK; Rampa RS; Mahapatra MK; Kumar R
Mol Divers; 2024 Apr; 28(2):649-669. PubMed ID: 36745307
[TBL] [Abstract][Full Text] [Related]
2. Virtual Screening of Novel and Selective Inhibitors of Protein Tyrosine Phosphatase 1B over T-Cell Protein Tyrosine Phosphatase Using a Bidentate Inhibition Strategy.
Chen X; Gan Q; Feng C; Liu X; Zhang Q
J Chem Inf Model; 2018 Apr; 58(4):837-847. PubMed ID: 29608303
[TBL] [Abstract][Full Text] [Related]
3. Structure-based virtual screening approach to identify novel classes of PTP1B inhibitors.
Park H; Bhattarai BR; Ham SW; Cho H
Eur J Med Chem; 2009 Aug; 44(8):3280-4. PubMed ID: 19269068
[TBL] [Abstract][Full Text] [Related]
4. Prediction of enzyme inhibition and mode of inhibitory action based on calculation of distances between hydrogen bond donor/acceptor groups of the molecule and docking analysis: An application on the discovery of novel effective PTP1B inhibitors.
Eleftheriou P; Petrou A; Geronikaki A; Liaras K; Dirnali S; Anna M
SAR QSAR Environ Res; 2015; 26(7-9):557-76. PubMed ID: 26294069
[TBL] [Abstract][Full Text] [Related]
5. Identification of natural products as selective PTP1B inhibitors via virtual screening.
Yang Y; Tian JY; Ye F; Xiao Z
Bioorg Chem; 2020 May; 98():103706. PubMed ID: 32199302
[TBL] [Abstract][Full Text] [Related]
6. Selective binding modes and allosteric inhibitory effects of lupane triterpenes on protein tyrosine phosphatase 1B.
Jin T; Yu H; Huang XF
Sci Rep; 2016 Feb; 6():20766. PubMed ID: 26865097
[TBL] [Abstract][Full Text] [Related]
7. In silico investigations on the binding efficacy and allosteric mechanism of six different natural product compounds towards PTP1B inhibition through docking and molecular dynamics simulations.
SarathKumar B; Lakshmi BS
J Mol Model; 2019 Aug; 25(9):272. PubMed ID: 31451955
[TBL] [Abstract][Full Text] [Related]
8. Screening and identification of potential PTP1B allosteric inhibitors using in silico and in vitro approaches.
Shinde RN; Kumar GS; Eqbal S; Sobhia ME
PLoS One; 2018; 13(6):e0199020. PubMed ID: 29912965
[TBL] [Abstract][Full Text] [Related]
9. Molecular Docking, In-Silico ADMET Study and Development of 1,6- Dihydropyrimidine Derivative as Protein Tyrosine Phosphatase Inhibitor: An Approach to Design and Develop Antidiabetic Agents.
Patel AD; Barot R; Parmar I; Panchal I; Shah U; Patel M; Mishtry B
Curr Comput Aided Drug Des; 2018; 14(4):349-362. PubMed ID: 29701158
[TBL] [Abstract][Full Text] [Related]
10. Discovery of inhibitors targeting protein tyrosine phosphatase 1B using a combined virtual screening approach.
Zhao D; Sun L; Zhong S
Mol Divers; 2022 Aug; 26(4):2159-2174. PubMed ID: 34655403
[TBL] [Abstract][Full Text] [Related]
11. Identification of novel PTP1B inhibitors by pharmacophore based virtual screening, scaffold hopping and docking.
Balaramnavar VM; Srivastava R; Rahuja N; Gupta S; Rawat AK; Varshney S; Chandasana H; Chhonker YS; Doharey PK; Kumar S; Gautam S; Srivastava SP; Bhatta RS; Saxena JK; Gaikwad AN; Srivastava AK; Saxena AK
Eur J Med Chem; 2014 Nov; 87():578-94. PubMed ID: 25299681
[TBL] [Abstract][Full Text] [Related]
12. Design, synthesis, biological activity and molecular dynamics studies of specific protein tyrosine phosphatase 1B inhibitors over SHP-2.
Sun SX; Li XB; Liu WB; Ma Y; Wang RL; Cheng XC; Wang SQ; Liu W
Int J Mol Sci; 2013 Jun; 14(6):12661-74. PubMed ID: 23774838
[TBL] [Abstract][Full Text] [Related]
13. Structural Basis of Fullerene Derivatives as Novel Potent Inhibitors of Protein Tyrosine Phosphatase 1B: Insight into the Inhibitory Mechanism through Molecular Modeling Studies.
Qian M; Shan Y; Guan S; Zhang H; Wang S; Han W
J Chem Inf Model; 2016 Oct; 56(10):2024-2034. PubMed ID: 27649447
[TBL] [Abstract][Full Text] [Related]
14. Combined Ligand- and Receptor-Based Virtual Screening Methodology to Identify Structurally Diverse Protein Tyrosine Phosphatase 1B Inhibitors.
Gimeno A; Ardid-Ruiz A; Ojeda-Montes MJ; Tomás-Hernández S; Cereto-Massagué A; Beltrán-Debón R; Mulero M; Valls C; Aragonès G; Suárez M; Pujadas G; Garcia-Vallvé S
ChemMedChem; 2018 Sep; 13(18):1939-1948. PubMed ID: 30024103
[TBL] [Abstract][Full Text] [Related]
15. An amalgamated molecular dynamic and Gaussian based 3D-QSAR study for the design of 2,4-thiazolidinediones as potential PTP1B inhibitors.
Biharee A; Singh Y; Kulkarni S; Jangid K; Kumar V; Jain AK; Thareja S
J Mol Graph Model; 2024 Mar; 127():108695. PubMed ID: 38118354
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. Discovery of novel and selective inhibitors targeting protein tyrosine phosphatase 1B (PTP1B): Virtual screening and molecular dynamic simulation.
Akyol K; Kilic D
Comput Biol Med; 2021 Dec; 139():104959. PubMed ID: 34735946
[TBL] [Abstract][Full Text] [Related]
18. Toward a treatment of diabesity: Rational design, synthesis and biological evaluation of benzene-sulfonamide derivatives as a new class of PTP-1B inhibitors.
Ghareb N; El-Sayed NM; Abdelhameed R; Yamada K; Elgawish MS
Bioorg Chem; 2019 May; 86():322-338. PubMed ID: 30743173
[TBL] [Abstract][Full Text] [Related]
19. 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]
20. In silico modelling and molecular dynamics simulation studies of thiazolidine based PTP1B inhibitors.
Mahapatra MK; Bera K; Singh DV; Kumar R; Kumar M
J Biomol Struct Dyn; 2018 Apr; 36(5):1195-1211. PubMed ID: 28393626
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]