Channels In silico Study of Antiviral Activity of Polyphenol Compounds from Ocimum basilicum by Molecular Docking, ADMET, and Drug-Likeness Analysis
Antibacterial and Antioxidant Activities, in silico Molecular Docking, ADMET and DFT Analysis of Compounds from Roots of Cyphostemma cyphopetalum
In silico Molecular Docking Approach to Identify Potential Antihypertensive Compounds from Ajuga integrifolia Buch.-Ham. Ex D. Don (Armagusa)
Toward Understanding the Anticancer Activity of the Phytocompounds from Eugenia uniflora Using Molecular Docking, in silico Toxicity and Dynamics Studies
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
Molecular Docking and ADMET Analysis of Selected Polyphenols Targeting Acetylcholinesterase: An In Silico Approach
In silico docking and ADMET studies on clinical targets for type 2 diabetes correlated to in vitro inhibition of pancreatic alpha-amylase and alpha-glucosidase by rutin, caffeic acid, p-coumaric acid, and vanillin
Network Pharmacology of Natural Polyphenols for Stroke: A Bioinformatic Approach to Drug Design
Pyrazoline B-Paclitaxel or Doxorubicin Combination Drugs Show Synergistic Activity Against Cancer Cells: In silico Study
Evaluation of botanical extracts and molecular docking approaches for sustainable management of rice blast disease in Mushk Budji rice
Synthesis, Biological Evaluation and Molecular Docking Studies of Novel Series of Bis-1,2,4-Triazoles as Thymidine Phosphorylase Inhibitor
Elucidation of Molecular Interactions Between Drug–Polymer in Amorphous Solid Dispersion by a Computational Approach Using Molecular Dynamics Simulations
In silico Screening of Potential SARS-CoV-2 Main Protease Inhibitors from Thymus schimperi
In silico and in vitro inhibition of α- glucosidase and α-amylase by compounds from culinary herbs and spices, for possible treatment of type 2 diabetes
Ultrasonic-Assisted Synthesis of Heterocyclic Curcumin Analogs as Antidiabetic, Antibacterial, and Antioxidant Agents Combined with in vitro and in silico Studies
The Potential of 24-Propylcholestrol as Antibacterial Oral Bacteria of Enterococcus faecalis ATCC 29212 and Inhibitor Biofilms Formation: in vitro and in silico Study
Investigating the Potency of Erythrina‒Derived Flavonoids as Cholinesterase Inhibitors and Free Radical Scavengers Through in silico Approach: Implications for Alzheimer’s Disease Therapy
Facing Antitubercular Resistance: Identification of Potential Direct Inhibitors Targeting InhA Enzyme and Generation of 3D-pharmacophore Model by in silico Approach
Digital twins to accelerate target identification and drug development for immune‐mediated disorders
Isolation and characterisation of a LEA-like protein from yeast (Saccharomyces cerevisiae)
Unraveling Potential Glyoxalase-I Inhibitors Utilizing Structure-Based Drug Design Techniques
The location and putative functional role of a lea-like protein (HSP 12) in yeast
Molecular characterization of covRS mutations in M1UK Streptococcus pyogenes
Molecular mechanisms involved in the anticancer activity of BISPMB in oesophageal cancer cells
The Drug Addiction Profile in Türkiye: Trends, Risk Factors, and Therapeutic Community Villages as an Integrated Restorative Justice Model
