Detalhe da pesquisa
1.
Synthesis and studies of new purines/pyrimidine derivatives as multi-targeted agents involving various receptor sites in the immune system.
Mol Divers
; 28(1): 97-110, 2024 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-36853528
2.
Application of SUMO fusion technology for the enhancement of stability and activity of lysophospholipase from Pyrococcus abyssi.
World J Microbiol Biotechnol
; 40(6): 183, 2024 May 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-38722449
3.
In-silico assessment of high-risk non-synonymous SNPs in ADAMTS3 gene associated with Hennekam syndrome and their impact on protein stability and function.
BMC Bioinformatics
; 24(1): 251, 2023 Jun 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-37322437
4.
Brief literature review and comprehensive bioinformatics analytics unravel the potential mechanism of curcumin in the treatment of periodontitis.
BMC Oral Health
; 23(1): 469, 2023 07 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-37422651
5.
A computer aided drug discovery based discovery of lead-like compounds against KDM5A for cancers using pharmacophore modeling and high-throughput virtual screening.
Proteins
; 90(3): 645-657, 2022 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-34642975
6.
Targeting Natural Plant Metabolites for Hunting SARS-CoV-2 Omicron BA.1 Variant Inhibitors: Extraction, Molecular Docking, Molecular Dynamics, and Physicochemical Properties Study.
Curr Issues Mol Biol
; 44(10): 5028-5047, 2022 Oct 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-36286057
7.
Molecular Cloning and Characterization of an Acidic Polygalacturonase from Grapes and Its Potential in Industry.
Crit Rev Eukaryot Gene Expr
; 30(5): 411-425, 2020.
Artigo
em Inglês
| MEDLINE | ID: mdl-33389878
8.
Structural and functional insights of starch processing α-amylase from hyperthermophilic archaeon Pyrococcusabyssi.
Carbohydr Res
; 539: 109122, 2024 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-38657354
9.
3D-QSAR, molecular docking, simulation dynamic and ADMET studies on new quinolines derivatives against colorectal carcinoma activity.
J Biomol Struct Dyn
; 42(7): 3682-3699, 2024 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-37227776
10.
A computational investigation of galactopyranoside esters as antimicrobial agents through antiviral, molecular docking, molecular dynamics, pharmacokinetics, and bioactivity prediction.
J Biomol Struct Dyn
; 42(2): 1015-1030, 2024.
Artigo
em Inglês
| MEDLINE | ID: mdl-37027788
11.
XRD/DFT, Hirshfeld surface analysis and molecular modelling simulations for unfolding reactivity of newly synthesized vanillin derivatives: excellent optical, NLO and protein binding efficiency.
J Biomol Struct Dyn
; : 1-19, 2024 Feb 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-38305762
12.
Exploring optimal drug targets through subtractive proteomics analysis and pangenomic insights for tailored drug design in tuberculosis.
Sci Rep
; 14(1): 10904, 2024 05 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-38740859
13.
In silico research on new sulfonamide derivatives as BRD4 inhibitors targeting acute myeloid leukemia using various computational techniques including 3D-QSAR, HQSAR, molecular docking, ADME/Tox, and molecular dynamics.
J Biomol Struct Dyn
; : 1-19, 2023 Sep 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-37656159
14.
Computational Modeling, High-Level Soluble Expression and In Vitro Cytotoxicity Assessment of Recombinant Pseudomonas aeruginosa Azurin: A Promising Anti-Cancer Therapeutic Candidate.
Pharmaceutics
; 15(7)2023 Jun 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-37514012
15.
In Silico Investigation of a Chimeric IL24-LK6 Fusion Protein as a Potent Candidate Against Breast Cancer.
Bioinform Biol Insights
; 17: 11779322231182560, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-37377793
16.
Molecular Cloning, Expression, Sequence Characterization and Structural Insight of Bubalus bubalis Growth Hormone-Receptor.
Mol Biotechnol
; 65(7): 1062-1075, 2023 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-36437440
17.
Identification of NEK7 inhibitors: structure based virtual screening, molecular docking, density functional theory calculations and molecular dynamics simulations.
J Biomol Struct Dyn
; 41(14): 6894-6908, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-35983608
18.
Identification of NS2B-NS3 Protease Inhibitors for Therapeutic Application in ZIKV Infection: A Pharmacophore-Based High-Throughput Virtual Screening and MD Simulations Approaches.
Vaccines (Basel)
; 11(1)2023 Jan 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-36679976
19.
Exploring the therapeutic potential of galidesivir analogs against Zaire ebolavirus protein 24 (V24): database screening, molecular docking, drug-relevant property evaluation and molecular dynamics simulations.
J Biomol Struct Dyn
; : 1-11, 2023 Jul 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-37477257
20.
Identification of RdRp inhibitors against SARS-CoV-2 through E-pharmacophore-based virtual screening, molecular docking and MD simulations approaches.
Int J Biol Macromol
; 237: 124169, 2023 May 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-36990409