Detalles de la búsqueda
1.
Exploring the structural activity relationship of the Osimertinib: A covalent inhibitor of double mutant EGFRL858R/T790M tyrosine kinase for the treatment of Non-Small Cell Lung Cancer (NSCLC).
Bioorg Med Chem
; 109: 117796, 2024 Jun 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-38879996
2.
Synthesis, biological evaluation, and In silico molecular docking of N-(4-(4-substitutedphenyl)-6-(substituted aryl) pyrimidin-2-yl)-2-(2-isonicotinoyl hydrazinyl) acetamide.
J Biochem Mol Toxicol
; 38(1): e23634, 2024 Jan.
Artículo
en Inglés
| MEDLINE | ID: mdl-38229312
3.
Benzimidazole and piperidine containing novel 1,2,3-triazole hybrids as anti-infective agents: Design, synthesis, in silico and in vitro antimicrobial efficacy.
J Biochem Mol Toxicol
; 38(1): e23526, 2024 Jan.
Artículo
en Inglés
| MEDLINE | ID: mdl-37668402
4.
Design, synthesis, biological evaluation, and in silico studies of quinoxaline derivatives as potent p38α MAPK inhibitors.
Arch Pharm (Weinheim)
; 357(1): e2300301, 2024 Jan.
Artículo
en Inglés
| MEDLINE | ID: mdl-37847883
5.
Design and synthesis of some novel hybrid molecules based on 4-thiazolidinone bearing pyridine-pyrazole scaffolds: molecular docking and molecular dynamics simulations of its major constituent onto DNA gyrase inhibition.
Mol Divers
; 2023 Feb 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-36750538
6.
Chrysin based pyrimidine-piperazine hybrids: design, synthesis, in vitro antimicrobial and in silico E. coli topoisomerase II DNA gyrase efficacy.
Mol Divers
; 2023 Jun 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-37318711
7.
Design and synthesis of pyrrolo[2,3-d]pyrimidine linked hybrids as α-amylase inhibitors: molecular docking, MD simulation, ADMET and antidiabetic screening.
Mol Divers
; 2023 Jun 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-37344700
8.
Mycobacterial FtsZ and inhibitors: a promising target for the anti-tubercular drug development.
Mol Divers
; 2023 Nov 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-38010605
9.
Synthesis, Biological Evaluation, and Molecular Modeling Studies of New 1,3,4-Thiadiazole Derivatives as Potent Antimicrobial Agents.
Chem Biodivers
; 20(3): e202201146, 2023 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-36764924
10.
Illicium verum L. (Star Anise) Essential Oil: GC/MS Profile, Molecular Docking Study, In Silico ADME Profiling, Quorum Sensing, and Biofilm-Inhibiting Effect on Foodborne Bacteria.
Molecules
; 28(23)2023 Nov 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-38067422
11.
Design, synthesis, molecular docking and molecular dynamics studies of novel triazolothiadiazine derivatives containing furan or thiophene rings as anticancer agents.
Bioorg Chem
; 122: 105709, 2022 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-35255344
12.
Multifunctional Derivatives of Spiropyrrolidine Tethered Indeno-Quinoxaline Heterocyclic Hybrids as Potent Antimicrobial, Antioxidant and Antidiabetic Agents: Design, Synthesis, In Vitro and In Silico Approaches.
Molecules
; 27(21)2022 Oct 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-36364077
13.
Design, Synthesis and Biological Evaluation of Syn and Anti-like Double Warhead Quinolinones Bearing Dihydroxy Naphthalene Moiety as Epidermal Growth Factor Receptor Inhibitors with Potential Apoptotic Antiproliferative Action.
Molecules
; 27(24)2022 Dec 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-36557897
14.
Synthesis, molecular docking, DFT study, and in vitro antimicrobial activity of some 4-(biphenyl-4-yl)-1,4-dihydropyridine and 4-(biphenyl-4-yl)pyridine derivatives.
J Biochem Mol Toxicol
; 35(11): e22903, 2021 Nov.
Artículo
en Inglés
| MEDLINE | ID: mdl-34459052
15.
Novel, selective acrylamide linked quinazolines for the treatment of double mutant EGFR-L858R/T790M Non-Small-Cell lung cancer (NSCLC).
Bioorg Chem
; 115: 105234, 2021 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-34399322
16.
Tomatidine and Patchouli Alcohol as Inhibitors of SARS-CoV-2 Enzymes (3CLpro, PLpro and NSP15) by Molecular Docking and Molecular Dynamics Simulations.
Int J Mol Sci
; 22(19)2021 Oct 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-34639036
17.
Bioisosteric modification of Linezolid identified the potential M. tuberculosis protein synthesis inhibitors to overcome the myelosuppression and serotonergic toxicity associated with Linezolid in the treatment of the multi-drug resistance tuberculosis (MDR-TB).
J Biomol Struct Dyn
; 42(4): 2111-2126, 2024.
Artículo
en Inglés
| MEDLINE | ID: mdl-37097976
18.
Molecular modeling and biological investigation of novel s-triazine linked benzothiazole and coumarin hybrids as antimicrobial and antimycobacterial agents.
J Biomol Struct Dyn
; 42(7): 3814-3825, 2024 Apr.
Artículo
en Inglés
| MEDLINE | ID: mdl-37218082
19.
Synthesis, Molecular Docking, Molecular Dynamic Simulation Studies, and Antitubercular Activity Evaluation of Substituted Benzimidazole Derivatives.
Adv Pharmacol Pharm Sci
; 2024: 9986613, 2024.
Artículo
en Inglés
| MEDLINE | ID: mdl-38577412
20.
Generative artificial intelligence in drug discovery: basic framework, recent advances, challenges, and opportunities.
Front Pharmacol
; 15: 1331062, 2024.
Artículo
en Inglés
| MEDLINE | ID: mdl-38384298