Detalhe da pesquisa
1.
Exploring marine-derived bioactive compounds for dual inhibition of Pseudomonas aeruginosa LpxA and LpxD: integrated bioinformatics and cheminformatics approaches.
Mol Divers
; 2024 May 23.
Artigo
Inglês
| MEDLINE | ID: mdl-38780832
2.
Structural and Dynamical Basis of VP35-RBD Inhibition by Marine Fungi Compounds to Combat Marburg Virus Infection.
Mar Drugs
; 22(1)2024 Jan 03.
Artigo
Inglês
| MEDLINE | ID: mdl-38248659
3.
Flavonoids as potential KRAS inhibitors: DFT, molecular docking, molecular dynamics simulation and ADMET analyses.
J Asian Nat Prod Res
; : 1-38, 2024 Apr 22.
Artigo
Inglês
| MEDLINE | ID: mdl-38647682
4.
Establishing the Role of Iridoids as Potential Kirsten Rat Sarcoma Viral Oncogene Homolog G12C Inhibitors Using Molecular Docking; Molecular Docking Simulation; Molecular Mechanics Poisson-Boltzmann Surface Area; Frontier Molecular Orbital Theory; Molecular Electrostatic Potential; and Absorption, Distribution, Metabolism, Excretion, and Toxicity Analysis.
Molecules
; 28(13)2023 Jun 28.
Artigo
Inglês
| MEDLINE | ID: mdl-37446713
5.
Synthesis and Anticancer Evaluation of 4-Chloro-2-((5-aryl-1,3,4-oxadiazol-2-yl)amino)phenol Analogues: An Insight into Experimental and Theoretical Studies.
Molecules
; 28(16)2023 Aug 16.
Artigo
Inglês
| MEDLINE | ID: mdl-37630338
6.
Bioinformatics and network pharmacology-based study to elucidate the multi-target pharmacological mechanism of the indigenous plants of Medina valley in treating HCV-related hepatocellular carcinoma.
Saudi Pharm J
; 31(6): 1125-1138, 2023 Jun.
Artigo
Inglês
| MEDLINE | ID: mdl-37293382
7.
Network pharmacology based virtual screening of Flavonoids from Dodonea angustifolia and the molecular mechanism against inflammation.
Saudi Pharm J
; 31(11): 101802, 2023 Nov.
Artigo
Inglês
| MEDLINE | ID: mdl-37822694
8.
HPLC Method Validation for the Estimation of Lignocaine HCl, Ketoprofen and Hydrocortisone: Greenness Analysis Using AGREE Score.
Int J Mol Sci
; 24(1)2022 Dec 27.
Artigo
Inglês
| MEDLINE | ID: mdl-36613881
9.
Novel and Potential Small Molecule Scaffolds as DYRK1A Inhibitors by Integrated Molecular Docking-Based Virtual Screening and Dynamics Simulation Study.
Molecules
; 27(4)2022 Feb 09.
Artigo
Inglês
| MEDLINE | ID: mdl-35208955
10.
Molecular and Structural Analysis of Specific Mutations from Saudi Isolates of SARS-CoV-2 RNA-Dependent RNA Polymerase and their Implications on Protein Structure and Drug-Protein Binding.
Molecules
; 27(19)2022 Oct 01.
Artigo
Inglês
| MEDLINE | ID: mdl-36235011
11.
Synthesis, Anticancer Screening of Some Novel Trimethoxy Quinazolines and VEGFR2, EGFR Tyrosine Kinase Inhibitors Assay; Molecular Docking Studies.
Molecules
; 26(10)2021 May 18.
Artigo
Inglês
| MEDLINE | ID: mdl-34069962
12.
Discovery of anti-MERS-CoV small covalent inhibitors through pharmacophore modeling, covalent docking and molecular dynamics simulation.
J Mol Liq
; 330: 115699, 2021 May 15.
Artigo
Inglês
| MEDLINE | ID: mdl-33867606
13.
Adamantane-derived scaffolds targeting the sigma-2 receptor; an in vitro and in silico study.
Saudi Pharm J
; 29(10): 1166-1172, 2021 Oct.
Artigo
Inglês
| MEDLINE | ID: mdl-34703370
14.
Sequence specific assignment and determination of OSR1 C-terminal domain structure by NMR.
Biochem Biophys Res Commun
; 512(2): 338-343, 2019 04 30.
Artigo
Inglês
| MEDLINE | ID: mdl-30894278
15.
C-terminal phosphorylation of SPAK and OSR1 kinases promotes their binding and activation by the scaffolding protein MO25.
Biochem Biophys Res Commun
; 503(3): 1868-1873, 2018 09 10.
Artigo
Inglês
| MEDLINE | ID: mdl-30060950
16.
The Photosensitising Clinical Agent Verteporfin Is an Inhibitor of SPAK and OSR1 Kinases.
Chembiochem
; 19(19): 2072-2080, 2018 10 04.
Artigo
Inglês
| MEDLINE | ID: mdl-29999233
17.
Towards the Development of Small-Molecule MO25 Binders as Potential Indirect SPAK/OSR1 Kinase Inhibitors.
Chembiochem
; 18(5): 460-465, 2017 03 02.
Artigo
Inglês
| MEDLINE | ID: mdl-28004876
18.
Network pharmacology and molecular dynamic simulation integrated strategy for the screening of active components and mechanisms of phytochemicals from Datura innoxia on Alzheimer and cognitive decline.
J Biomol Struct Dyn
; : 1-17, 2024 Jan 29.
Artigo
Inglês
| MEDLINE | ID: mdl-38287491
19.
A hierarchical approach towards identification of novel inhibitors against L, D-transpeptidase YcbB as an anti-bacterial therapeutic target.
J Biomol Struct Dyn
; : 1-11, 2024 Feb 27.
Artigo
Inglês
| MEDLINE | ID: mdl-38411016
20.
Identification of new potent NLRP3 inhibitors by multi-level in-silico approaches.
BMC Chem
; 18(1): 76, 2024 Apr 18.
Artigo
Inglês
| MEDLINE | ID: mdl-38637900