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191 related items for PubMed ID: 37390790
1. Identification of new pentapeptides as potential inhibitors of amyloid-β42 aggregation using virtual screening and molecular dynamics simulations. Kaur A, Goyal B. J Mol Graph Model; 2023 Nov; 124():108558. PubMed ID: 37390790 [Abstract] [Full Text] [Related]
2. Exploring the Impact of C-Terminal Based Pentapeptides on the Disassembly of Aβ42 Fibrils. Kaur A, Kaur Mankoo O, Rani D, Priyadarshi N, Goyal D, Kumar Singhal N, Goyal B. ChemMedChem; 2024 Nov 18; 19(22):e202400486. PubMed ID: 39022923 [Abstract] [Full Text] [Related]
3. Computational design and evaluation of β-sheet breaker peptides for destabilizing Alzheimer's amyloid-β42 protofibrils. Shuaib S, Narang SS, Goyal D, Goyal B. J Cell Biochem; 2019 Oct 18; 120(10):17935-17950. PubMed ID: 31162715 [Abstract] [Full Text] [Related]
4. Inhibition of Alzheimer's amyloid-β42 peptide aggregation by a bi-functional bis-tryptoline triazole: key insights from molecular dynamics simulations. Narang SS, Goyal D, Goyal B. J Biomol Struct Dyn; 2020 Apr 18; 38(6):1598-1611. PubMed ID: 31046642 [Abstract] [Full Text] [Related]
5. Mechanistic insights into the mitigation of Aβ aggregation and protofibril destabilization by a D-enantiomeric decapeptide rk10. Singh K, Kaur A, Goyal D, Goyal B. Phys Chem Chem Phys; 2022 Sep 21; 24(36):21975-21994. PubMed ID: 36069400 [Abstract] [Full Text] [Related]
6. Structural and molecular insights into tacrine-benzofuran hybrid induced inhibition of amyloid-β peptide aggregation and BACE1 activity. Kaur R, Narang SS, Singh P, Goyal B. J Biomol Struct Dyn; 2023 Sep 21; 41(22):13211-13227. PubMed ID: 37013977 [Abstract] [Full Text] [Related]
7. Scrutiny of the mechanism of small molecule inhibitor preventing conformational transition of amyloid-β42 monomer: insights from molecular dynamics simulations. Shuaib S, Goyal B. J Biomol Struct Dyn; 2018 Feb 21; 36(3):663-678. PubMed ID: 28162045 [Abstract] [Full Text] [Related]
8. Edaravone inhibits the conformational transition of amyloid-β42: insights from molecular dynamics simulations. Liu F, Ma Z, Sang J, Lu F. J Biomol Struct Dyn; 2020 May 21; 38(8):2377-2388. PubMed ID: 31234720 [Abstract] [Full Text] [Related]
9. An α-helix mimetic oligopyridylamide, ADH-31, modulates Aβ42 monomer aggregation and destabilizes protofibril structures: insights from molecular dynamics simulations. Kaur A, Goyal D, Goyal B. Phys Chem Chem Phys; 2020 Dec 23; 22(48):28055-28073. PubMed ID: 33289734 [Abstract] [Full Text] [Related]
10. Insights into the inhibitory mechanism of a resveratrol and clioquinol hybrid against Aβ42 aggregation and protofibril destabilization: A molecular dynamics simulation study. Saini RK, Shuaib S, Goyal D, Goyal B. J Biomol Struct Dyn; 2019 Aug 23; 37(12):3183-3197. PubMed ID: 30582723 [Abstract] [Full Text] [Related]
11. Impact of K16A and K28A mutation on the structure and dynamics of amyloid-β42 peptide in Alzheimer's disease: key insights from molecular dynamics simulations. Shuaib S, Saini RK, Goyal D, Goyal B. J Biomol Struct Dyn; 2020 Feb 23; 38(3):708-721. PubMed ID: 30821624 [Abstract] [Full Text] [Related]
12. Interactions of a multifunctional di-triazole derivative with Alzheimer's Aβ42 monomer and Aβ42 protofibril: a systematic molecular dynamics study. Kaur A, Shuaib S, Goyal D, Goyal B. Phys Chem Chem Phys; 2020 Jan 22; 22(3):1543-1556. PubMed ID: 31872820 [Abstract] [Full Text] [Related]
13. How Does the Mono-Triazole Derivative Modulate Aβ42 Aggregation and Disrupt a Protofibril Structure: Insights from Molecular Dynamics Simulations. Kaur A, Kaur A, Goyal D, Goyal B. ACS Omega; 2020 Jun 30; 5(25):15606-15619. PubMed ID: 32637837 [Abstract] [Full Text] [Related]
14. Molecular insights into Aβ42 protofibril destabilization with a fluorinated compound D744: A molecular dynamics simulation study. Saini RK, Shuaib S, Goyal B. J Mol Recognit; 2017 Dec 30; 30(12):. PubMed ID: 28850770 [Abstract] [Full Text] [Related]
16. Triazole-Peptide Conjugate as a Modulator of Aβ-Aggregation, Metal-Mediated Aβ-Aggregation, and Cytotoxicity. Mann S, Kaur A, Kaur A, Priyadarshi N, Goyal B, Singhal NK, Goyal D. ACS Chem Neurosci; 2023 May 03; 14(9):1631-1645. PubMed ID: 37040092 [Abstract] [Full Text] [Related]
18. Aβ monomers transiently sample oligomer and fibril-like configurations: ensemble characterization using a combined MD/NMR approach. Rosenman DJ, Connors CR, Chen W, Wang C, García AE. J Mol Biol; 2013 Sep 23; 425(18):3338-59. PubMed ID: 23811057 [Abstract] [Full Text] [Related]
19. Identification of a Novel Multifunctional Ligand for Simultaneous Inhibition of Amyloid-Beta (Aβ42) and Chelation of Zinc Metal Ion. Asadbegi M, Shamloo A. ACS Chem Neurosci; 2019 Nov 20; 10(11):4619-4632. PubMed ID: 31566950 [Abstract] [Full Text] [Related]
20. Effects of natural compounds on conformational properties and hairpin formation of amyloid-β42 monomer: docking and molecular dynamics simulation study. Ghorbani M, Soleymani H, Allahverdi A, Shojaeilangari S, Naderi-Manesh H. J Biomol Struct Dyn; 2020 Jul 20; 38(11):3371-3383. PubMed ID: 31496378 [Abstract] [Full Text] [Related] Page: [Next] [New Search]