Targeting PKC- β II and PKB Connection: Design of Dual Inhibitors.
- Published in:
- Molecular Informatics, 2011, v. 30, n. 4, p. 329, doi. 10.1002/minf.201000082
- By:
- Publication type:
- Article
Works by Sobhia, M.
Results: 34
1
2
Targeting PKC- β II by Peptides and Peptidomimetics Derived from RACK 1: An In Silico Approach.
- Published in:
- Molecular Informatics, 2011, v. 30, n. 1, p. 45, doi. 10.1002/minf.201000081
- By:
- Publication type:
- Article
3
An in silico study of protein-protein interactions and design of novel peptides for TrkA in ameloblastoma.
- Published in:
- Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 24, p. 13768, doi. 10.1080/07391102.2023.2278083
- By:
- Publication type:
- Article
4
Water network chemistry to exploit the nature of catalytic water molecules in Mtb DNA gyrase: a computational study to understand the binding mechanism of fluoroquinolones.
- Published in:
- Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 2, p. 725, doi. 10.1080/07391102.2023.2199869
- By:
- Publication type:
- Article
5
Identification of prospective covalent inhibitors for SARS-CoV-2 main protease using structure-based approach.
- Published in:
- Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 16, p. 7913, doi. 10.1080/07391102.2022.2129453
- By:
- Publication type:
- Article
6
Molecular dynamic assisted investigation on impact of mutations in deazaflavin dependent nitroreductase against pretomanid: a computational study.
- Published in:
- Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 10, p. 4421, doi. 10.1080/07391102.2022.2069156
- By:
- Publication type:
- Article
7
Protein degradation: a novel computational approach to design protein degrader probes for main protease of SARS-CoV-2.
- Published in:
- Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 21, p. 10905, doi. 10.1080/07391102.2021.1953601
- By:
- Publication type:
- Article
8
Identification of potential SARS-CoV-2 M<sup>pro</sup> inhibitors integrating molecular docking and water thermodynamics.
- Published in:
- Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 11, p. 5079, doi. 10.1080/07391102.2020.1867642
- By:
- Publication type:
- Article
9
Cell wall permeability assisted virtual screening to identify potential direct InhA inhibitors of Mycobacterium tuberculosis and their biological evaluation.
- Published in:
- Journal of Biomolecular Structure & Dynamics, 2018, v. 36, n. 12, p. 3274, doi. 10.1080/07391102.2017.1387176
- By:
- Publication type:
- Article
10
Molecular dynamics-based investigation of InhA substrate binding loop for diverse biological activity of direct InhA inhibitors.
- Published in:
- Journal of Biomolecular Structure & Dynamics, 2016, v. 34, n. 11, p. 2434, doi. 10.1080/07391102.2015.1118410
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- Publication type:
- Article
11
Discovery and evaluation of biphenyl derivatives of 2‐iminobenzimidazoles as prototype dual PTP1B inhibitors and AMPK activators with in vivo antidiabetic activity.
- Published in:
- Chemical Biology & Drug Design, 2023, v. 101, n. 4, p. 896, doi. 10.1111/cbdd.14198
- By:
- Publication type:
- Article
12
Insights into the Structural Requirements of PKC βII Inhibitors Based on HQSAR and CoMSIA Analyses.
- Published in:
- Chemical Biology & Drug Design, 2011, v. 78, n. 2, p. 283, doi. 10.1111/j.1747-0285.2011.01144.x
- By:
- Publication type:
- Article
13
Indole-3 Carbinol and Diindolylmethane Mitigated β-Amyloid-Induced Neurotoxicity and Acetylcholinesterase Enzyme Activity: In Silico, In Vitro, and Network Pharmacology Study.
- Published in:
- Diseases, 2024, v. 12, n. 8, p. 184, doi. 10.3390/diseases12080184
- By:
- Publication type:
- Article
14
Screening and identification of potential PTP1B allosteric inhibitors using in silico and in vitro approaches.
- Published in:
- PLoS ONE, 2018, v. 13, n. 6, p. 1, doi. 10.1371/journal.pone.0199020
- By:
- Publication type:
- Article
15
Development of 3D-pharmacophore model followed by successive virtual screening, molecular docking and ADME studies for the design of potent CCR2 antagonists for inflammation-driven diseases.
- Published in:
- Molecular Simulation, 2013, v. 39, n. 1, p. 49, doi. 10.1080/08927022.2012.701743
- By:
- Publication type:
- Article
16
In silico identification of novel PKC βII inhibitors: ligand and receptor based pharmacophore modeling, virtual screening, and molecular dynamics study.
- Published in:
- 2012
- By:
- Publication type:
- Abstract
17
Breaking the 'don't eat me' signal: in silico design of CD47-directed peptides for cancer immunotherapy.
- Published in:
- Molecular Diversity, 2024, v. 28, n. 5, p. 3067, doi. 10.1007/s11030-023-10732-5
- By:
- Publication type:
- Article
18
In silico identification of targets for a novel scaffold, 2-thiazolylimino-5-benzylidin-thiazolidin-4-one.
- Published in:
- Molecular Diversity, 2015, v. 19, n. 4, p. 855, doi. 10.1007/s11030-015-9578-2
- By:
- Publication type:
- Article
19
Structure-based design and analysis of MAO-B inhibitors for Parkinson's disease: using in silico approaches.
- Published in:
- Molecular Diversity, 2013, v. 17, n. 1, p. 111, doi. 10.1007/s11030-012-9420-z
- By:
- Publication type:
- Article
20
Binding site characterization of G protein-coupled receptor by alanine-scanning mutagenesis using molecular dynamics and binding free energy approach: application to C-C chemokine receptor-2 (CCR2).
- Published in:
- Molecular Diversity, 2012, v. 16, n. 2, p. 401, doi. 10.1007/s11030-012-9368-z
- By:
- Publication type:
- Article
21
Molecular dynamics directed CoMFA studies on carbocyclic neuraminidase inhibitors.
- Published in:
- Molecular Diversity, 2011, v. 15, n. 4, p. 979, doi. 10.1007/s11030-011-9332-3
- By:
- Publication type:
- Article
22
Domestic grape germination behaviour: the 'Chardonnay' and 'Syrah' international cultivars's study case.
- Published in:
- Revista Ciência Agronômica, 2024, v. 55, p. 1, doi. 10.5935/1806-6690.20240003
- By:
- Publication type:
- Article
23
Cancer pharmacoinformatics: Databases and analytical tools.
- Published in:
- Functional & Integrative Genomics, 2024, v. 24, n. 5, p. 1, doi. 10.1007/s10142-024-01445-5
- By:
- Publication type:
- Article
24
Molecular Dynamics Assisted Mechanistic Study of Isoniazid-Resistance against Mycobacterium tuberculosis InhA.
- Published in:
- PLoS ONE, 2015, v. 10, n. 12, p. 1, doi. 10.1371/journal.pone.0144635
- By:
- Publication type:
- Article
25
Implication of Crystal Water Molecules in Inhibitor Binding at ALR2 Active Site.
- Published in:
- Computational & Mathematical Methods in Medicine, 2012, p. 1, doi. 10.1155/2012/541594
- By:
- Publication type:
- Article
26
Structural basis of conformational variance in phosphorylated and non-phosphorylated states of PKCβII.
- Published in:
- Proteins, 2014, v. 82, n. 7, p. 1332, doi. 10.1002/prot.24500
- By:
- Publication type:
- Article
27
Binding affinity analysis of quinolone and dione inhibitors with Mtb-DNA gyrase emphasising the crystal water molecular transfer energy to the protein–ligand association.
- Published in:
- Molecular Simulation, 2022, v. 48, n. 7, p. 631, doi. 10.1080/08927022.2022.2042530
- By:
- Publication type:
- Article
28
Dielectric Relaxation of New Aniline Methyl Methacrylate Copolymer Synthesized by Gamma Irradiation Initiated Polymerization.
- Published in:
- High Performance Polymers, 2010, v. 22, n. 5, p. 515, doi. 10.1177/0954008309345551
- By:
- Publication type:
- Article
29
Protein tyrosine phosphatase inhibitors: a patent review and update (2012–2023).
- Published in:
- Expert Opinion on Therapeutic Patents, 2024, v. 34, n. 4, p. 187, doi. 10.1080/13543776.2024.2362203
- By:
- Publication type:
- Article
30
A Series of Novel Bioactive Cyclic Peptides: Synthesis by Head‐to‐Tail Cyclization Approach, Antimicrobial Activity and Molecular Docking Studies.
- Published in:
- ChemistrySelect, 2022, v. 7, n. 27, p. 1, doi. 10.1002/slct.202201481
- By:
- Publication type:
- Article
31
Computer-aided design of selective COX-2 inhibitors: comparative molecular field analysis and docking studies of some 3,4-diaryloxazolone derivatives.
- Published in:
- Journal of Physical Organic Chemistry, 2001, v. 14, n. 7, p. 481, doi. 10.1002/poc.393
- By:
- Publication type:
- Article
32
Novel insights into the structural requirements for the design of selective and specific aldose reductase inhibitors.
- Published in:
- Journal of Molecular Modeling, 2012, v. 18, n. 5, p. 1791, doi. 10.1007/s00894-011-1195-0
- By:
- Publication type:
- Article
33
Insights into the permeability of drugs and drug-likemolecules from MI-QSAR and HQSAR studies.
- Published in:
- Journal of Molecular Modeling, 2012, v. 18, n. 3, p. 947, doi. 10.1007/s00894-011-1121-5
- By:
- Publication type:
- Article
34
Identification of novel, less toxic PTP-LAR inhibitors using in silico strategies: pharmacophore modeling, SADMET-based virtual screening and docking.
- Published in:
- Journal of Molecular Modeling, 2012, v. 18, n. 1, p. 187, doi. 10.1007/s00894-011-1037-0
- By:
- Publication type:
- Article