Tag: molecular docking

Scientists used solid acid catalysis to create sesamol- and asarinin-enriched sesame oils that inhibited melanin production and accelerated wound repair ...

Chemists have synthesized ten novel α-aminotetrazole compounds in a single-pot Ugi–azide reaction and identified an ortho-fluorinated lead with potent antibacterial ...

A computational study finds that mulberry phytochemicals mulberrofuran L and X bind the cancer-critical CDK1 protein more stably than the ...

A new study combines LC-MS profiling, protein denaturation assays, and molecular dynamics simulations to reveal that castor plant formulations contain ...

A new review maps how computational tools, from RNA folding algorithms to molecular dynamics simulations, are transforming the design of ...

A virtual library of 30 isoniazid-based Schiff base derivatives was computationally screened, and the top-ranked compound SLB-5 was synthesized and ...

Chemists have created a coumarin-based compound that inhibits tyrosinase twenty times more potently than kojic acid while also blocking the ...

Researchers used machine learning, docking, and molecular dynamics to transform Traditional Chinese Medicine compounds into optimized computational leads against E. ...

A new network pharmacology study maps how the anti-metastatic drug metarrestin rewires cancer cell protein networks and identifies the cell-cycle ...

New research shows that salvianolic acid B, a polyphenol from red sage, protects human heart muscle cells from high-glucose injury ...

Researchers replaced toxic t-butanol with a menthol-octanoic acid deep eutectic solvent to purify tea membrane-bound polyphenol oxidase 17-fold, using molecular ...

In a groundbreaking study that promises to elevate our understanding of cancer mechanisms, researchers have embarked on a multifaceted exploration ...

In recent years, the increasing prevalence of type 1 diabetes mellitus has brought forth a significant challenge for researchers and ...

In a groundbreaking study published in the Journal of Ovarian Research, researchers have explored the intricate mechanisms through which Zishen ...

Research has consistently shown that indole derivatives are a treasure trove of biological activities, exhibiting a wide range of beneficial ...

In a groundbreaking study set to reshape our understanding of osteoarthritis (OA) treatment, researchers have unveiled the intricate mechanisms by ...