Detalhe da pesquisa
1.
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.
Artigo
em Inglês
| MEDLINE | ID: mdl-35618489
2.
Network Analysis Guided Designing of Multi-Targeted Anti-Fungal Agents: Synthesis and Biological Evaluation.
J Mol Struct
; : 134128, 2022 Sep 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-36101882
3.
Molecular modeling approaches to address drug-metabolizing enzymes (DMEs) mediated chemoresistance: a review.
Drug Metab Rev
; 53(1): 45-75, 2021 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-33535824
4.
Identification of chemoresistance associated key genes-miRNAs-TFs in docetaxel resistant breast cancer by bioinformatics analysis.
3 Biotech
; 14(5): 128, 2024 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-38590544
5.
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.
Artigo
em Inglês
| MEDLINE | ID: mdl-38356135
6.
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.
Artigo
em Inglês
| MEDLINE | ID: mdl-38283216
7.
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.
Artigo
em Inglês
| MEDLINE | ID: mdl-36502606
8.
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.
Artigo
em Inglês
| MEDLINE | ID: mdl-37033295
9.
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.
Artigo
em Inglês
| MEDLINE | ID: mdl-37160174
10.
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.
Artigo
em Inglês
| MEDLINE | ID: mdl-35353318
11.
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.
Artigo
em Inglês
| MEDLINE | ID: mdl-36180817
12.
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.
Artigo
em Inglês
| MEDLINE | ID: mdl-33769194
13.
Dihydropyrimidine Dehydrogenase-Mediated Resistance to 5-Fluorouracil: Mechanistic Investigation and Solution.
ACS Pharmacol Transl Sci
; 5(11): 1017-1033, 2022 Nov 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-36407958
14.
Machine Learning Enabled Structure-Based Drug Repurposing Approach to Identify Potential CYP1B1 Inhibitors.
ACS Omega
; 7(36): 31999-32013, 2022 Sep 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-36120033
15.
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.
Artigo
em Inglês
| MEDLINE | ID: mdl-34491453
16.
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.
Artigo
em Inglês
| MEDLINE | ID: mdl-34089986