Detalles de la búsqueda
1.
Exploring the artificial intelligence and machine learning models in the context of drug design difficulties and future potential for the pharmaceutical sectors.
Methods
; 219: 82-94, 2023 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-37778659
2.
Toxicological study on ibuprofen and selenium in freshwater mussel Lamellidens marginalis and exploring the microbial cytochrome through modelling and quantum mechanics approaches for its toxicity degradation in contaminated environment.
Environ Res
; 257: 119331, 2024 Jun 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-38851371
3.
The oncogenic role of SAMMSON lncRNA in tumorigenesis: A comprehensive review with especial focus on melanoma.
J Cell Mol Med
; 27(24): 3966-3973, 2023 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-37772815
4.
Role and anti-inflammatory mechanisms of acupuncture and moxibustion therapy on pain relief through NOX-ROS-NLRP3 pathway in CCI rats models.
Mol Biol Rep
; 50(11): 9367-9378, 2023 Nov.
Artículo
en Inglés
| MEDLINE | ID: mdl-37819498
5.
Molecular interaction analysis of ß-1, 3 glucan binding protein with Bacillus licheniformis and evaluation of its immunostimulant property in Oreochromis mossambicus.
Fish Shellfish Immunol
; 121: 183-196, 2022 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-34971736
6.
Artificial intelligence and machine learning approaches for drug design: challenges and opportunities for the pharmaceutical industries.
Mol Divers
; 26(3): 1893-1913, 2022 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-34686947
7.
Structure-Based Virtual Screening Reveals Ibrutinib and Zanubrutinib as Potential Repurposed Drugs against COVID-19.
Int J Mol Sci
; 22(13)2021 Jun 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-34209188
8.
Elucidation of Agonist and Antagonist Dynamic Binding Patterns in ER-α by Integration of Molecular Docking, Molecular Dynamics Simulations and Quantum Mechanical Calculations.
Int J Mol Sci
; 22(17)2021 Aug 29.
Artículo
en Inglés
| MEDLINE | ID: mdl-34502280
9.
Selectins-The Two Dr. Jekyll and Mr. Hyde Faces of Adhesion Molecules-A Review.
Molecules
; 25(12)2020 Jun 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-32575485
10.
In vitro and in silico studies on cell adhesion protein peroxinectin from Fenneropenaeus indicus and screening of heme blockers against activity.
J Mol Recognit
; 29(5): 186-98, 2016 May.
Artículo
en Inglés
| MEDLINE | ID: mdl-26686319
11.
Understanding the importance of conservative hypothetical protein LdBPK_070020 in Leishmania donovani and its role in subsistence of the parasite.
Arch Biochem Biophys
; 596: 10-21, 2016 04 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-26926257
12.
Modeling of macromolecular proteins in prophenoloxidase cascade through experimental and computational approaches.
Biotechnol Appl Biochem
; 63(6): 779-788, 2016 Nov.
Artículo
en Inglés
| MEDLINE | ID: mdl-26466758
13.
Structure-Based Virtual Screening and Biological Evaluation of a Calpain Inhibitor for Prevention of Selenite-Induced Cataractogenesis in an in Vitro System.
J Chem Inf Model
; 55(8): 1686-97, 2015 Aug 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-26270943
14.
Molecular cloning, relative expression, and structural analysis of pattern recognition molecule ß-glucan binding protein from mangrove crab Episesarma tetragonum.
Biotechnol Appl Biochem
; 62(3): 416-23, 2015.
Artículo
en Inglés
| MEDLINE | ID: mdl-25066826
15.
Molecular insights on analogs of HIV PR inhibitors toward HTLV-1 PR through QM/MM interactions and molecular dynamics studies: comparative structure analysis of wild and mutant HTLV-1 PR.
J Mol Recognit
; 27(12): 696-706, 2014 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-25319617
16.
Interaction investigations of crustacean ß-GBP recognition toward pathogenic microbial cell membrane and stimulate upon prophenoloxidase activation.
J Mol Recognit
; 27(4): 173-83, 2014 Apr.
Artículo
en Inglés
| MEDLINE | ID: mdl-24591174
17.
In silico and in vitro studies of cinnamaldehyde and their derivatives against LuxS in Streptococcus pyogenes: effects on biofilm and virulence genes.
J Mol Recognit
; 27(2): 106-16, 2014 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-24436128
18.
Ligand-based pharmacophore modelling and screening of DNA minor groove binders targeting Staphylococcus aureus.
J Mol Recognit
; 27(7): 429-37, 2014 Jul.
Artículo
en Inglés
| MEDLINE | ID: mdl-24895275
19.
Virtual screening of LPXTG competitive SrtA inhibitors targeting signal transduction mechanism in Bacillus anthracis: a combined experimental and theoretical study.
J Recept Signal Transduct Res
; 34(3): 221-32, 2014 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-24490975
20.
Molecular modeling studies and comparative analysis on structurally similar HTLV and HIV protease using HIV-PR inhibitors.
J Recept Signal Transduct Res
; 34(5): 361-71, 2014 Oct.
Artículo
en Inglés
| MEDLINE | ID: mdl-24694004