162 related articles for article (PubMed ID: 35780236)
1. Interaction mechanism of novel fluorescent antifolates targeted with folate receptors α and β via molecular docking and molecular dynamic simulations.
Wang C; Zhang M; Shi S; Jiang Y; Fei X; Liu L; Ye D; Zhang S
J Mol Model; 2022 Jul; 28(8):205. PubMed ID: 35780236
[TBL] [Abstract][Full Text] [Related]
2. Novel fluorescent antifolates that target folate receptors α and β: Molecular dynamics and density functional theory study.
Wang C; Jiang Y; Zhang M; Fei X; Gu Y
J Mol Graph Model; 2018 Oct; 85():40-47. PubMed ID: 30055477
[TBL] [Abstract][Full Text] [Related]
3. Type and size effect of functional groups on the novel antifolate target recognition folate receptors α and β: Docking, molecular dynamics and MM/PBSA study.
Jiang Y; Wang C; Zhang M; Fei X; Gu Y
J Mol Graph Model; 2020 Nov; 100():107663. PubMed ID: 32659629
[TBL] [Abstract][Full Text] [Related]
4. Heterocyclic Substitutions Greatly Improve Affinity and Stability of Folic Acid towards FRα. an In Silico Insight.
Al-Thiabat MG; Saqallah FG; Gazzali AM; Mohtar N; Yap BK; Choong YS; Wahab HA
Molecules; 2021 Feb; 26(4):. PubMed ID: 33670773
[TBL] [Abstract][Full Text] [Related]
5. Conjugated β-Cyclodextrin Enhances the Affinity of Folic Acid towards FRα: Molecular Dynamics Study.
Al-Thiabat MG; Gazzali AM; Mohtar N; Murugaiyah V; Kamarulzaman EE; Yap BK; Rahman NA; Othman R; Wahab HA
Molecules; 2021 Aug; 26(17):. PubMed ID: 34500740
[TBL] [Abstract][Full Text] [Related]
6. Interacted mechanism of functional groups in ligand targeted with folate receptor via docking, molecular dynamic and MM/PBSA.
Jiang Y; Wang C; Zhang M; Fei X; Gu Y
J Mol Graph Model; 2019 Mar; 87():121-128. PubMed ID: 30537642
[TBL] [Abstract][Full Text] [Related]
7. Structural and functional insights on folate receptor α (FRα) by homology modeling, ligand docking and molecular dynamics.
Della-Longa S; Arcovito A
J Mol Graph Model; 2013 Jul; 44():197-207. PubMed ID: 23880302
[TBL] [Abstract][Full Text] [Related]
8. The folate receptor as a rational therapeutic target for personalized cancer treatment.
Assaraf YG; Leamon CP; Reddy JA
Drug Resist Updat; 2014; 17(4-6):89-95. PubMed ID: 25457975
[TBL] [Abstract][Full Text] [Related]
9. Design, synthesis and biological evaluation of novel pyrrolo[2,3-d]pyrimidine as tumor-targeting agents with selectivity for tumor uptake by high affinity folate receptors over the reduced folate carrier.
Golani LK; Islam F; O'Connor C; Dekhne AS; Hou Z; Matherly LH; Gangjee A
Bioorg Med Chem; 2020 Jun; 28(12):115544. PubMed ID: 32503687
[TBL] [Abstract][Full Text] [Related]
10. Discovery of amide-bridged pyrrolo[2,3-d]pyrimidines as tumor targeted classical antifolates with selective uptake by folate receptor α and inhibition of de novo purine nucleotide biosynthesis.
Xiang W; Dekhne A; Doshi A; O'Connor C; Hou Z; Matherly LH; Gangjee A
Bioorg Med Chem; 2019 Dec; 27(23):115125. PubMed ID: 31679978
[TBL] [Abstract][Full Text] [Related]
11. Molecular simulation of the structure of folate and antifolates at physiological conditions.
Petrova J; Gocheva G; Ivanova N; Iliev S; Atanasova B; Madjarova G; Ivanova A
J Mol Graph Model; 2019 Mar; 87():172-184. PubMed ID: 30553157
[TBL] [Abstract][Full Text] [Related]
12. Structure-activity profiles of novel 6-substituted pyrrolo[2,3-d]pyrimidine thienoyl antifolates with modified amino acids for cellular uptake by folate receptors α and β and the proton-coupled folate transporter.
Golani LK; George C; Zhao S; Raghavan S; Orr S; Wallace A; Wilson MR; Hou Z; Matherly LH; Gangjee A
J Med Chem; 2014 Oct; 57(19):8152-66. PubMed ID: 25234128
[TBL] [Abstract][Full Text] [Related]
13. Study of folate-based carbon nanotube drug delivery systems targeted to folate receptor α by molecular dynamic simulations.
Jiang Y; Wang C; Zhang M; Liu L; Gao X; Zhang S; Ye D
Int J Biol Macromol; 2023 Jul; 244():125386. PubMed ID: 37327924
[TBL] [Abstract][Full Text] [Related]
14. Establishing the Role of Iridoids as Potential Kirsten Rat Sarcoma Viral Oncogene Homolog G12C Inhibitors Using Molecular Docking; Molecular Docking Simulation; Molecular Mechanics Poisson-Boltzmann Surface Area; Frontier Molecular Orbital Theory; Molecular Electrostatic Potential; and Absorption, Distribution, Metabolism, Excretion, and Toxicity Analysis.
Alamri MA; Alawam AS; Alshahrani MM; Kawsar SMA; Prinsa ; Saha S
Molecules; 2023 Jun; 28(13):. PubMed ID: 37446713
[TBL] [Abstract][Full Text] [Related]
15. In silico discovery of food-derived phytochemicals against asialoglycoprotein receptor 1 for treatment of hypercholesterolemia: Pharmacophore modeling, molecular docking and molecular dynamics simulation approach.
Gao S; Wang L; Bai F; Xu S
J Mol Graph Model; 2023 Dec; 125():108614. PubMed ID: 37651861
[TBL] [Abstract][Full Text] [Related]
16. Structural basis for molecular recognition of folic acid by folate receptors.
Chen C; Ke J; Zhou XE; Yi W; Brunzelle JS; Li J; Yong EL; Xu HE; Melcher K
Nature; 2013 Aug; 500(7463):486-9. PubMed ID: 23851396
[TBL] [Abstract][Full Text] [Related]
17. A novel identification approach for discovery of 5-HydroxyTriptamine 2A antagonists: combination of 2D/3D similarity screening, molecular docking and molecular dynamics.
Kumar R; Jade D; Gupta D
J Biomol Struct Dyn; 2019 Mar; 37(4):931-943. PubMed ID: 29468945
[TBL] [Abstract][Full Text] [Related]
18. Dual Targeting of Epithelial Ovarian Cancer Via Folate Receptor α and the Proton-Coupled Folate Transporter with 6-Substituted Pyrrolo[2,3-
Hou Z; Gattoc L; O'Connor C; Yang S; Wallace-Povirk A; George C; Orr S; Polin L; White K; Kushner J; Morris RT; Gangjee A; Matherly LH
Mol Cancer Ther; 2017 May; 16(5):819-830. PubMed ID: 28138029
[TBL] [Abstract][Full Text] [Related]
19. Use of MM-PBSA in reproducing the binding free energies to HIV-1 RT of TIBO derivatives and predicting the binding mode to HIV-1 RT of efavirenz by docking and MM-PBSA.
Wang J; Morin P; Wang W; Kollman PA
J Am Chem Soc; 2001 Jun; 123(22):5221-30. PubMed ID: 11457384
[TBL] [Abstract][Full Text] [Related]
20. Molecular docking and molecular dynamics simulation of
Oyewusi HA; Huyop F; Wahab RA
J Biomol Struct Dyn; 2022 Mar; 40(5):1979-1994. PubMed ID: 33094694
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]