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De Novo Design of Cathepsin B1 Inhibitors as Potential Anti-Schistosomal Agents Using Computational Studies
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In silico Screening of Potential SARS-CoV-2 Main Protease Inhibitors from Thymus schimperi
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Biosynthesis of Cucurbita maxima trypsin inhibitor I in the methylotropic yeast Pichia pastoris
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Biosynthesis of Cucurbita maxima trypsin inhibitor I in the methylophic yeast Pichia pastoris
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The Potential of 24-Propylcholestrol as Antibacterial Oral Bacteria of Enterococcus faecalis ATCC 29212 and Inhibitor Biofilms Formation: in vitro and in silico Study
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Network Pharmacology of Natural Polyphenols for Stroke: A Bioinformatic Approach to Drug Design
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Facing Antitubercular Resistance: Identification of Potential Direct Inhibitors Targeting InhA Enzyme and Generation of 3D-pharmacophore Model by in silico Approach
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Employing Hexahydroquinolines as PfCDPK4 Inhibitors to Combat Malaria Transmission: An Advanced Computational Approach
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Unravelling the molecular mechanisms of HIV associated neurocognitive disorders through mass spectrometry-based proteomics
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Bioinformatics Study of Flavonoids From Genus Erythrina As Ace2 inhibitor Candidates For Covid-19 Treatment
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Virtual Screening, Toxicity Evaluation and Pharmacokinetics of Erythrina Alkaloids as Acetylcholinesterase Inhibitor Candidates from Natural Products
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Synthesis, Biological Evaluation and Molecular Docking Studies of Novel Series of Bis-1,2,4-Triazoles as Thymidine Phosphorylase Inhibitor
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Investigating the Potency of Erythrina‒Derived Flavonoids as Cholinesterase Inhibitors and Free Radical Scavengers Through in silico Approach: Implications for Alzheimer’s Disease Therapy
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Computer-aided drug design and the biological evaluation of anti-cancer drugs
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Digital twins to accelerate target identification and drug development for immune‐mediated disorders
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In silico Drug Repurposing of Anticancer Drug 5-FU and Analogues Against SARS-CoV-2 Main Protease: Molecular Docking, Molecular Dynamics Simulation, Pharmacokinetics and Chemical Reactivity Studies
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Microglial dynamics and ferroptosis induction in human iPSC‐derived neuron–astrocyte–microglia tri‐cultures
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Multi Epitope-Based Vaccine Design for Protection Against Mycobacterium tuberculosis and SARS-CoV-2 Coinfection
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Hyperosmotic stress‐induced redistribution of pre‐mRNA cleavage factor I subunits is associated with shifts in alternative polyadenylation
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Pyrazoline B-Paclitaxel or Doxorubicin Combination Drugs Show Synergistic Activity Against Cancer Cells: In silico Study
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The Drug Addiction Profile in Türkiye: Trends, Risk Factors, and Therapeutic Community Villages as an Integrated Restorative Justice Model
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Structural determinants of the domain-selectivity of novel inhibitors of human testis angiotensin-converting enzyme
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In silico Study of Antiviral Activity of Polyphenol Compounds from Ocimum basilicum by Molecular Docking, ADMET, and Drug-Likeness Analysis
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Elucidation of Molecular Interactions Between Drug–Polymer in Amorphous Solid Dispersion by a Computational Approach Using Molecular Dynamics Simulations
