Detalhe da pesquisa
1.
Decoding dynamic interactions between EGFR-TKD and DAC through computational and experimental approaches: A novel breakthrough in lung melanoma treatment.
J Cell Mol Med
; 28(9): e18263, 2024 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-38685671
2.
An exploration of the binding prediction of anatoxin-a and atropine to acetylcholinesterase enzyme using multi-level computer simulations.
Phys Biol
; 21(1)2023 Nov 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-37963412
3.
Bioinspired thiazolo-[2,3-b] quinazolin-6-one derivatives as potent anti-cancer agents targeting EGFR: their biological evaluations and in silico assessment.
Mol Divers
; 2023 Jul 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-37395840
4.
Design, synthesis, molecular modeling, and biological evaluations of novel chalcone based 4-Nitroacetophenone derivatives as potent anticancer agents targeting EGFR-TKD.
J Biomol Struct Dyn
; : 1-16, 2024 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-38281944
5.
Exploring binding stability of hydroxy-3-(4-hydroxyphenyl)-5-(4-nitrophenyl)-5,5a,7,8,9,9a-hexahydrothiazolo[2,3-b] quinazolin-6-one with T790M/L858R EGFR-TKD.
J Biomol Struct Dyn
; 41(8): 3702-3716, 2023 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-35343861
6.
Molecular modeling and simulations of some antiviral drugs, benzylisoquinoline alkaloid, and coumarin molecules to investigate the effects on Mpro main viral protease inhibition.
Biochem Biophys Rep
; 34: 101459, 2023 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-36987522
7.
Identification of anti-cyanobacterial leads targeting carbonic anhydrase from phytochemical database using in silico approach.
BioTechnologia (Pozn)
; 104(2): 121-136, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-37427029
8.
Phytochemical profiling, in vitro analysis for anti-inflammatory, immunomodulatory activities, structural elucidation and in silico evaluation of potential selective COX-2 and TNF-α inhibitor from Hydrilla verticillata (L.f.) Royle.
J Biomol Struct Dyn
; : 1-15, 2023 Nov 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-38018914
9.
An exploration of binding of Hesperidin, Rutin, and Thymoquinone to acetylcholinesterase enzyme using multi-level computational approaches.
J Biomol Struct Dyn
; : 1-15, 2023 Oct 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-37811769
10.
Identification of potent EGFR-TKD inhibitors from NPACT database through combined computational approaches.
J Biomol Struct Dyn
; 41(21): 12063-12076, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-36695102
11.
Novel computational and drug design strategies for inhibition of monkeypox virus and Babesia microti: molecular docking, molecular dynamic simulation and drug design approach by natural compounds.
Front Microbiol
; 14: 1206816, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-37538847
12.
Monte-Carlo method-based QSAR model to discover phytochemical urease inhibitors using SMILES and GRAPH descriptors.
J Biomol Struct Dyn
; 40(11): 5090-5099, 2022 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-33403941
13.
Structural insights into conformational stability and binding of thiazolo-[2,3-b] quinazolinone derivatives with EGFR-TKD and in-vitro study.
Saudi J Biol Sci
; 29(12): 103478, 2022 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-36389208
14.
In Silico and In Vitro Evaluations of Fluorophoric Thiazolo-[2,3-b]quinazolinones as Anti-cancer Agents Targeting EGFR-TKD.
Appl Biochem Biotechnol
; 194(10): 4292-4318, 2022 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-35366187
15.
Cyanobacteria in wetlands of the industrialized Sambalpur District of India.
Aquat Biosyst
; 9(1): 14, 2013 Jul 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-23845058