Channels 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
Antibacterial and Antioxidant Activities, in silico Molecular Docking, ADMET and DFT Analysis of Compounds from Roots of Cyphostemma cyphopetalum
In silico Study of Antiviral Activity of Polyphenol Compounds from Ocimum basilicum by Molecular Docking, ADMET, and Drug-Likeness Analysis
In silico Molecular Docking Approach to Identify Potential Antihypertensive Compounds from Ajuga integrifolia Buch.-Ham. Ex D. Don (Armagusa)
Molecular mechanisms involved in the anticancer activity of BISPMB in oesophageal cancer cells
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
Pyrazoline B-Paclitaxel or Doxorubicin Combination Drugs Show Synergistic Activity Against Cancer Cells: In silico Study
Computational Study of Bis-(1-(Benzoyl)-3-Methyl Thiourea) Platinum (II) Complex Derivatives as Anticancer Candidates
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
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
South African marine compounds as anticancer agents
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
In Silico Molecular Docking Analysis of Natural Pyridoacridines as Anticancer Agents
Facing Antitubercular Resistance: Identification of Potential Direct Inhibitors Targeting InhA Enzyme and Generation of 3D-pharmacophore Model by in silico Approach
Virtual Screening, Toxicity Evaluation and Pharmacokinetics of Erythrina Alkaloids as Acetylcholinesterase Inhibitor Candidates from Natural Products
Development of a species-specific real-time PCR assay for identifying the medicinal plant and the toxic plant
Molecular characterization of covRS mutations in M1UK Streptococcus pyogenes
Characterising the anticancer effects of a small molecule with potential to inhibit nuclear import via karyopherin beta1
The ubiquitin-proteasome system in biology and disease: from molecular mechanisms to proteomic and genetic engineering applications in agriculture
Loss of AMBRA1 activates MAPK and angiogenesis signaling pathways in melanoma cells
