Detalhe da pesquisa
1.
Design and Identification of Inhibitors for the Spike-ACE2 Target of SARS-CoV-2.
Int J Mol Sci
; 24(10)2023 May 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-37240165
2.
New Acetamide-Sulfonamide-Containing Scaffolds: Antiurease Activity Screening, Structure-Activity Relationship, Kinetics Mechanism, Molecular Docking, and MD Simulation Studies.
Molecules
; 28(14)2023 Jul 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-37513261
3.
Computational screening of phytochemicals against survivin protein: A potent target for cancer.
Pak J Pharm Sci
; 32(3 (Supplementary)): 1145-1154, 2019 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-31303583
4.
In silico investigation of a novel anti-EGFR scFv-IL-24 fusion protein induces apoptosis in malignant cells.
J Mol Model
; 29(9): 282, 2023 Aug 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-37606822
5.
Identification of human phosphoglycerate mutase 1 (PGAM1) inhibitors using hybrid virtual screening approaches.
PeerJ
; 11: e14936, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-37051414
6.
Investigation of antioxidant and antibacterial effects of citrus fruits peels extracts using different extracting agents: Phytochemical analysis with in silico studies.
Heliyon
; 9(4): e15433, 2023 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-37113773
7.
Exploiting the co-crystal ligands shape, features and structure-based approaches for identification of SARS-CoV-2 Mpro inhibitors.
J Biomol Struct Dyn
; 41(23): 14325-14338, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-36946192
8.
Bioactive compounds derived from marine source: a potential immunotherapy treatment.
J Biomol Struct Dyn
; : 1-12, 2023 Jun 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-37387587
9.
Acetylsalicylic acid-sulfa drugs conjugates as potential urease inhibitors and anti-inflammatory agents: bio-oriented drug synthesis, molecular docking, and dynamics simulation studies.
J Biomol Struct Dyn
; : 1-15, 2023 Aug 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-37643014
10.
Exploring the potential of propanamide-sulfonamide based drug conjugates as dual inhibitors of urease and cyclooxygenase-2: biological and their in silico studies.
Front Chem
; 11: 1206380, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-37601915
11.
Curcumin nanoparticles: physicochemical fabrication, characterization, antioxidant, enzyme inhibition, molecular docking and simulation studies.
RSC Adv
; 13(32): 22268-22280, 2023 Jul 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-37492507
12.
Exploring the Potential of New Benzamide-Acetamide Pharmacophore Containing Sulfonamide as Urease Inhibitors: Structure-Activity Relationship, Kinetics Mechanism, and In Silico Studies.
ACS Omega
; 8(48): 46165-46181, 2023 Dec 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-38075833
13.
Binding selectivity analysis of AURKs inhibitors through molecular dynamics simulation studies.
PLoS One
; 18(12): e0295741, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-38113210
14.
Combined 3D-QSAR, molecular docking and dynamics simulations studies to model and design TTK inhibitors.
Front Chem
; 10: 1003816, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-36405310
15.
Antiurease screening of alkyl chain-linked thiourea derivatives: in vitro biological activities, molecular docking, and dynamic simulations studies.
RSC Adv
; 12(10): 6292-6302, 2022 Feb 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-35424581
16.
In Silico and In Vivo Evaluation of Synthesized SCP-2 Inhibiting Compounds on Life Table Parameters of Helicoverpa armigera (Hübner).
Insects
; 13(12)2022 Dec 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-36555079