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The Significance of Doxylamine, an Antihistamine Compound, in the Context of its Potential Efficacy Against Covid-19: Conformational Analysis, Molecular Docking, and Molecular Dynamics Studies
A Multifunctional Aptamer Decorated Lipid Nanoparticles for the Delivery of EpCAM‐targeted CRISPR/Cas9 Plasmid for Efficacious In Vivo Tumor Regression
Comprehensive Study on Synthesis, Quantum Chemical Calculations, Molecular Modeling Studies, and Cytotoxic Activities of Metal(II) Schiff Base Complexes
Salophen‐Type ONNO Donor Schiff Base and Its Mn(II), Fe(II), Ni(II), and Cu(II) Complexes: Synthesis, Characterization, Cytotoxic Activity, Quantum Chemical Calculation, and Molecular Modeling Investigation
Synthesis of novel oligomeric anionic alkyl glycosides using laccase/TEMPO oxidation and cyclodextrin glucanotransferase (CGTase)‐catalyzed transglycosylation
Chemical Characterization, Antioxidant, Antimicrobial, Cytotoxicity and in Silico Studies of Hexane Extract and Essential Oils from Citrus limon Leaves
Synthesis and in Silico Study of Novel Benzisoxazole‐Chromene Derivatives as Potent Inhibitors of Acetylcholinesterase: Metal‐Free Site‐Selective C−N Bond Formation via Aza‐Michael Reaction
Pd(II)‐Catalyzed Site‐Selective Cross Coupling Reaction: Synthesis of Highly Fluorescent Aryl−Formyl−Chromenes and its Iminoantipyrine Analogues as Selective AChE Inhibitors
Optimization of Extraction Conditions for Biological Attributes of Newly Developed NARC‐G1 Garlic Using Response Surface Methodology and Its GC‐MS Characterization
B‐factor Guided Proline Substitutions in Chromobacterium violaceum Amine Transaminase: Evaluation of the Proline Rule as a Method for Enzyme Stabilization
Molecular docking and molecular dynamics studies of Glu‐Glu‐Arg, Glu‐Pro‐Arg, and Pro‐Arg‐Pro tripeptides to reveal their anticancer and antiviral potentials
Unlocking the Potential of Antimicrobial Maximin Peptides From Bombina maxima Against Staphylococcus aureus : Deciphering Their Mode of Action Through a Mimetic Bacterial Membrane Environment
Computational and Spectroscopic Insights Into the Rice Bran Derived Glu‐Gln‐Arg‐Pro‐Arg Pentapeptide as an Anticancer Agent: A DFT , Molecular Docking, and Molecular Dynamics Study
Investigations of the Interactions of Glu-Glu-Arg, Glu-Pro-Arg and Pro-Arg-Pro Tripeptides That Have Anti-Cancer Properties with Human Serum Albumin by Molecular Docking Studies
Study on oligomerization of glutamate decarboxylase from Lactobacillus brevis using asymmetrical flow field-flow fractionation (AF4) with light scattering techniques
Predicting Toxicity of Insect Venom-Derived Antimicrobial Peptides Using MD Simulations: A Comparative Study of Multi-Component and Realistic Mammalian Membrane Models
Structure and dynamics of Helicobacter pylori nickel-chaperone HypA: an integrated approach using NMR spectroscopy, functional assays and computational tools
Molecular basis of the beta-lactamase protein using comparative modelling, drug screening and molecular dynamics studies to understand the resistance of β-lactam antibiotics
Unravelling the molecular effect of ocellatin-1, F1, K1 and S1, the frog-skin antimicrobial peptides to enhance its therapeutics—quantum and molecular mechanical approaches
Analysis of natural compounds against the activity of SARS-CoV-2 NSP15 protein towards an effective treatment against COVID-19: a theoretical and computational biology approach
Molecular screening and genetic diversity analysis of anticancer Azurin-encoding and Azurin-like genes in human gut microbiome deduced through cultivation-dependent and cultivation-independent studies
Physiological and genomic insights into abiotic stress of halophilic archaeon Natrinema altunense 4.1R isolated from a saline ecosystem of Tunisian desert
Attenuation of CFA-induced chronic inflammation by a bicyclic monoterpene fenchone targeting inducible nitric oxide, prostaglandins, C-reactive protein and urea
RETRACTED ARTICLE: Molecular insights of Eucalyptol (1,8-Cineole) as an anti-arthritic agent: in vivo and in silico analysis of IL-17, IL-10, NF-κB, 5-LOX and COX-2
β-Citronellol: a potential anti-inflammatory and gastro-protective agent-mechanistic insights into its modulatory effects on COX-II, 5-LOX, eNOS, and ICAM-1 pathways through in vitro, in vivo, in silico, and network pharmacology studies
Activity prediction of substrates in NADH-dependent carbonyl reductase by docking requires catalytic constraints and charge parameterization of catalytic zinc environment
Molecular structure, DFT computations, and docking studies of an imidazo[1,2-a]pyridine derivative containing 1,2,3-triazole and 4-bromophenyl moieties
Structural insights into the pathogenicity of point mutations in human acyl-CoA dehydrogenase homotetramers
showing the first 200 of 1566
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