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1.
Novel Derivatives of Eugenol as a New Class of PPARγ Agonists in Treating Inflammation: Design, Synthesis, SAR Analysis and In Vitro Anti-Inflammatory Activity.
Molecules
; 28(9)2023 May 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-37175309
2.
Virtual Screening for Identification of Dual Inhibitors against CDK4/6 and Aromatase Enzyme.
Molecules
; 28(6)2023 Mar 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-36985460
3.
Needleless electrospun phytochemicals encapsulated nanofibre based 3-ply biodegradable mask for combating COVID-19 pandemic.
Chem Eng J
; 416: 129152, 2021 Jul 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-33654455
4.
Estrogen receptor potentially stable conformations from molecular dynamics as a structure-based pharmacophore model for mapping, screening, and identifying ligands-a new paradigm shift in pharmacophore screening.
J Biomol Struct Dyn
; 41(11): 4939-4948, 2023 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-35543232
5.
Dynamacophore model for breast cancer estrogen receptor alpha as an effective lead generation screening technique.
J Biomol Struct Dyn
; 41(22): 13029-13040, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-37154819
6.
Discovery of Novel Myristic Acid Derivatives as N-Myristoyltransferase Inhibitors: Design, Synthesis, Analysis, Computational Studies and Antifungal Activity.
Antibiotics (Basel)
; 12(7)2023 Jul 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-37508263
7.
Multi-conformational frame from molecular dynamics as a structure-based pharmacophore model for mapping, screening and identifying ligands against PPAR-γ: a new protocol to develop promising candidates.
J Biomol Struct Dyn
; 40(6): 2663-2673, 2022 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-33140698
8.
Mapping of FSHR agonists and antagonists binding sites to identify potential peptidomimetic modulators.
Biochim Biophys Acta Biomembr
; 1864(4): 183842, 2022 04 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-34954201
9.
Novel derivatives of eugenol as potent anti-inflammatory agents via PPARγ agonism: rational design, synthesis, analysis, PPARγ protein binding assay and computational studies.
RSC Adv
; 12(26): 16966-16978, 2022 Jun 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-35754905
10.
CDK4/6 inhibitors: a brief overview and prospective research directions.
RSC Adv
; 11(47): 29227-29246, 2021 Sep 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-35479560
11.
Gas chromatography-mass spectrometry metabolic profiling, molecular simulation and dynamics of diverse phytochemicals of Punica granatum L. leaves against estrogen receptor.
Front Biosci (Landmark Ed)
; 26(9): 423-441, 2021 07 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-34590457
12.
A promising in silico protocol to develop novel PPARγ antagonists as potential anticancer agents: Design, synthesis and experimental validation via PPARγ protein activity and competitive binding assay.
Comput Biol Chem
; 95: 107600, 2021 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-34794076
13.
Curcumin to inhibit binding of spike glycoprotein to ACE2 receptors: computational modelling, simulations, and ADMET studies to explore curcuminoids against novel SARS-CoV-2 targets.
RSC Adv
; 10(52): 31385-31399, 2020 Aug 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-35520671
14.
Molecular Dynamics and Biological Evaluation of 2-chloro-7-cyclopentyl- 7H-pyrrolo[2,3-d]pyrimidine Derivatives Against Breast Cancer.
Comb Chem High Throughput Screen
; 20(8): 703-712, 2017.
Artículo
en Inglés
| MEDLINE | ID: mdl-28738766
15.
Recent Updates on Computer-aided Drug Discovery: Time for a Paradigm Shift.
Curr Top Med Chem
; 17(30): 3296-3307, 2017.
Artículo
en Inglés
| MEDLINE | ID: mdl-29295698
16.
Decolorization of Distillery Spent Wash Using Biopolymer Synthesized by Pseudomonas aeruginosa Isolated from Tannery Effluent.
Biomed Res Int
; 2015: 195879, 2015.
Artículo
en Inglés
| MEDLINE | ID: mdl-26504787
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