about
Chikungunya virus (CHIKV) inhibitors from natural sources: a medicinal chemistry perspectiveFlap dynamics of plasmepsin proteases: insight into proposed parameters and molecular dynamicsZika virus NS5 protein potential inhibitors: an enhanced in silico approach in drug discoveryEbola virus: A gap in drug design and discovery - experimental and computational perspective.The impact of Thr91 mutation on c-Src resistance to UM-164: molecular dynamics study revealed a new opportunity for drug design.Dual anti-inflammatory and selective inhibition mechanism of leukotriene A4 hydrolase/aminopeptidase: insights from comparative molecular dynamics and binding free energy analyses.VP40 of the Ebola Virus as a Target for EboV Therapy: Comprehensive Conformational and Inhibitor Binding Landscape from Accelerated Molecular Dynamics.Integrated computational tools for identification of CCR5 antagonists as potential HIV-1 entry inhibitors: homology modeling, virtual screening, molecular dynamics simulations and 3D QSAR analysis.Understanding the cross-resistance of oseltamivir to H1N1 and H5N1 influenza A neuraminidase mutations using multidimensional computational analyses.Polyelectrolyte complex of vancomycin as a nanoantibiotic: Preparation, in vitro and in silico studies.Per-residue energy decomposition pharmacophore model to enhance virtual screening in drug discovery: a study for identification of reverse transcriptase inhibitors as potential anti-HIV agentsIdentification of Binding Mode and Prospective Structural Features of Novel Nef Protein Inhibitors as Potential Anti-HIV Drugs.Could the FDA-approved anti-HIV PR inhibitors be promising anticancer agents? An answer from enhanced docking approach and molecular dynamics analysesIntegrated approach to structure-based enzymatic drug design: molecular modeling, spectroscopy, and experimental bioactivity.A perspective on targeting non-structural proteins to combat neglected tropical diseases: Dengue, West Nile and Chikungunya viruses.Theory and applications of covalent docking in drug discovery: merits and pitfalls.Heat-shock protein 90 (Hsp90) as anticancer target for drug discovery: an ample computational perspective.Adenosine Monophosphate-Activated Protein Kinase (AMPK) as a Diverse Therapeutic Target: A Computational Perspective.Tailored-pharmacophore model to enhance virtual screening and drug discovery: a case study on the identification of potential inhibitors against drug-resistant Mycobacterium tuberculosis (3R)-hydroxyacyl-ACP dehydratases.Metal complexes in cancer therapy - an update from drug design perspective.New drug design with covalent modifiers.Therapeutic, molecular and computational aspects of novel monoamine oxidase (MAO) inhibitors.A broad spectrum anti-HIV inhibitor significantly disturbs V1/V2 domain rearrangements of HIV-1 gp120 and inhibits virus entry.Non-active site mutations disturb the loop dynamics, dimerization, viral budding and egress of VP40 of the Ebola virus.Can We Rely on Computational Predictions To Correctly Identify Ligand Binding Sites on Novel Protein Drug Targets? Assessment of Binding Site Prediction Methods and a Protocol for Validation of Predicted Binding Sites.Recent advancements in the development of anti-tuberculosis drugs.Review on the Biological Mechanisms Associated with Depo-Provera and HIV-1 Risk Acquisition in Women.Synthesis and molecular modelling studies of novel carbapeptide analogs for inhibition of HIV-1 protease.Comparison of the molecular dynamics and calculated binding free energies for nine FDA-approved HIV-1 PR drugs against subtype B and C-SA HIV PR.Co-encapsulation of multi-lipids and polymers enhances the performance of vancomycin in lipid-polymer hybrid nanoparticles: In vitro and in silico studies.Road Map for the Structure-Based Design of Selective Covalent HCV NS3/4A Protease Inhibitors.Mechanism of Inhibition of Hsp90 Dimerization by Gyrase B Inhibitor Coumermycin A1 (C-A1) Revealed by Molecular Dynamics Simulations and Thermodynamic Calculations.Identification of Novel Potential gp120 of HIV-1 Antagonist Using Per-Residue Energy Contribution-Based Pharmacophore modelling.Ultra-small lipid-dendrimer hybrid nanoparticles as a promising strategy for antibiotic delivery: In vitro and in silico studies.Flap flexibility amongst plasmepsins I, II, III, IV, and V: Sequence, structural, and molecular dynamics analyses.Dynamic features of apo and bound HIV-Nef protein reveal the anti-HIV dimerization inhibition mechanism.Quantum mechanics implementation in drug-design workflows: does it really help?Multi-drug resistance profile of PR20 HIV-1 protease is attributed to distorted conformational and drug binding landscape: molecular dynamics insights.Compensatory role of double mutation N348I/M184V on nevirapine binding landscape: insight from molecular dynamics simulation.An integrated molecular dynamics, principal component analysis and residue interaction network approach reveals the impact of M184V mutation on HIV reverse transcriptase resistance to lamivudine.
P50
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P50
description
hulumtues
@sq
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Mahmoud E Soliman
@es
Mahmoud E. Soliman
@en
Mahmoud E. Soliman
@nl
Mahmoud E. Soliman
@sl
type
label
Mahmoud E Soliman
@es
Mahmoud E. Soliman
@en
Mahmoud E. Soliman
@nl
Mahmoud E. Soliman
@sl
prefLabel
Mahmoud E Soliman
@es
Mahmoud E. Soliman
@en
Mahmoud E. Soliman
@nl
Mahmoud E. Soliman
@sl
P106
P1153
26023848500
P21
P31
P496
0000-0002-8711-7783
P569
2000-01-01T00:00:00Z