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1.
3D-QSAR assisted identification of selective CYP1B1 inhibitors: an effective bioisosteric replacement/molecular docking/electrostatic complementarity analysis.
Mol Divers
; 27(6): 2673-2693, 2023 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-36441444
2.
3D-QSAR and scaffold hopping based designing of benzo[d]ox-azol-2(3H)-one and 2-oxazolo[4,5-b]pyridin-2(3H)-one derivatives as selective aldehyde dehydrogenase 1A1 inhibitors: Synthesis and biological evaluation.
Arch Pharm (Weinheim)
; 355(9): e2200108, 2022 Sep.
Artículo
en Inglés
| MEDLINE | ID: mdl-35618489
3.
Molecular modeling approaches to address drug-metabolizing enzymes (DMEs) mediated chemoresistance: a review.
Drug Metab Rev
; 53(1): 45-75, 2021 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-33535824
4.
Identification of kinase inhibitors that rule out the CYP27B1-mediated activation of vitamin D: an integrated machine learning and structure-based drug designing approach.
Mol Divers
; 25(3): 1617-1641, 2021 Aug.
Artículo
en Inglés
| MEDLINE | ID: mdl-34272637
5.
Identification of chemoresistance associated key genes-miRNAs-TFs in docetaxel resistant breast cancer by bioinformatics analysis.
3 Biotech
; 14(5): 128, 2024 May.
Artículo
en Inglés
| MEDLINE | ID: mdl-38590544
6.
Scaffold hopping for designing of potent and selective CYP1B1 inhibitors to overcome docetaxel resistance: synthesis and evaluation.
J Biomol Struct Dyn
; : 1-19, 2024 Feb 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-38356135
7.
Scaffold hopping based designing of selective ALDH1A1 inhibitors to overcome cyclophosphamide resistance: synthesis and biological evaluation.
RSC Med Chem
; 15(1): 309-321, 2024 Jan 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-38283216
8.
In silico guided designing of optimized benzochalcones derivatives as potent CYP1B1 inhibitors: An integrated in vitro and ONIOM study.
J Mol Graph Model
; 119: 108390, 2023 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-36502606
9.
Identification of natural peptides from "PlantPepDB" database as anti-SARS-CoV-2 agents: A protein-protein docking approach.
Phytomed Plus
; 3(2): 100446, 2023 May.
Artículo
en Inglés
| MEDLINE | ID: mdl-37033295
10.
Raloxifene and bazedoxifene as selective ALDH1A1 inhibitors to ameliorate cyclophosphamide resistance: A drug repurposing approach.
Int J Biol Macromol
; 242(Pt 1): 124749, 2023 Jul 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-37160174
11.
Molecular Docking, Dynamics, and WaterSwap Analysis to Identify Anti-aggregating Agents of Insulin and IFN-ß.
Appl Biochem Biotechnol
; 194(7): 3261-3279, 2022 Jul.
Artículo
en Inglés
| MEDLINE | ID: mdl-35353318
12.
Role of Genetic Polymorphisms in Drug-Metabolizing Enzyme-Mediated Toxicity and Pharmacokinetic Resistance to Anti-Cancer Agents: A Review on the Pharmacogenomics Aspect.
Clin Pharmacokinet
; 61(11): 1495-1517, 2022 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-36180817
13.
Multiple machine learning, molecular docking, and ADMET screening approach for identification of selective inhibitors of CYP1B1.
J Biomol Struct Dyn
; 40(17): 7975-7990, 2022 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-33769194
14.
Dihydropyrimidine Dehydrogenase-Mediated Resistance to 5-Fluorouracil: Mechanistic Investigation and Solution.
ACS Pharmacol Transl Sci
; 5(11): 1017-1033, 2022 Nov 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-36407958
15.
Machine Learning Enabled Structure-Based Drug Repurposing Approach to Identify Potential CYP1B1 Inhibitors.
ACS Omega
; 7(36): 31999-32013, 2022 Sep 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-36120033
16.
Identification of potential genes associated with ALDH1A1 overexpression and cyclophosphamide resistance in chronic myelogenous leukemia using network analysis.
Med Oncol
; 38(10): 123, 2021 Sep 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-34491453
17.
Multiple machine learning models combined with virtual screening and molecular docking to identify selective human ALDH1A1 inhibitors.
J Mol Graph Model
; 107: 107950, 2021 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-34089986
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