Detalles de la búsqueda
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.
Hydantoin based dual inhibitors of ALR2 and PARP-1: Design, synthesis, in-vitro and in-vivo evaluation.
Bioorg Chem
; 129: 106108, 2022 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-36063781
3.
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
4.
Network Analysis Guided Designing of Multi-Targeted Anti-Fungal Agents: Synthesis and Biological Evaluation.
J Mol Struct
; : 134128, 2022 Sep 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-36101882
5.
In silico anti-SARS-CoV-2 activities of five-membered heterocycle-substituted benzimidazoles.
J Mol Struct
; 1261: 132869, 2022 Aug 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-35340531
6.
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
7.
The interplay between inflammatory pathways and COVID-19: A critical review on pathogenesis and therapeutic options.
Microb Pathog
; 150: 104673, 2021 Jan.
Artículo
en Inglés
| MEDLINE | ID: mdl-33278517
8.
QM/MM analysis, synthesis and biological evaluation of epalrestat based mutual-prodrugs for diabetic neuropathy and nephropathy.
Bioorg Chem
; 108: 104556, 2021 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-33376013
9.
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
10.
Pharmacophore-based designing of putative ROS-1 targeting agents for NSCLC.
Mol Divers
; 25(2): 1091-1102, 2021 May.
Artículo
en Inglés
| MEDLINE | ID: mdl-32002714
11.
Search for non-acidic ALR2 inhibitors: Evaluation of flavones as targeted agents for the management of diabetic complications.
Bioorg Chem
; 96: 103570, 2020 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-31978681
12.
Pharmacophore modeling and molecular dynamics approach to identify putative DNA Gyrase B inhibitors for resistant tuberculosis.
J Cell Biochem
; 120(3): 3149-3159, 2019 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-30191589
13.
Drug metabolizing enzymes-associated chemo resistance and strategies to overcome it.
Drug Metab Rev
; 51(2): 196-223, 2019 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-31203662
14.
Structure based designing of triazolopyrimidone-based reversible inhibitors for kinases involved in NSCLC.
Bioorg Med Chem Lett
; 29(13): 1565-1571, 2019 07 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-31078412
15.
An exhaustive compilation on chemistry of triazolopyrimidine: A journey through decades.
Bioorg Chem
; 88: 102919, 2019 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-31026721
16.
Mechanistic investigation of resistance via drug-inactivating enzymes in Mycobacterium tuberculosis.
Drug Metab Rev
; 50(4): 448-465, 2018 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-30343607
17.
Benzimidazole scaffold based hybrid molecules for various inflammatory targets: Synthesis and evaluation.
Bioorg Chem
; 80: 24-35, 2018 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-29864685
18.
Molecular dynamics guided development of indole based dual inhibitors of EGFR (T790M) and c-MET.
Bioorg Chem
; 79: 163-170, 2018 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-29758406
19.
Computational design of new protein kinase D 1 (PKD1) inhibitors: homology-based active site prediction, energy-optimized pharmacophore, docking and database screening.
Mol Divers
; 22(1): 47-56, 2018 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-29058231
20.
Molecular dynamics and integrated pharmacophore-based identification of dual [Formula: see text] inhibitors.
Mol Divers
; 22(1): 95-112, 2018 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-29138965