Tag: molecular docking

A new review in Clinical and Experimental Medicine examines how molecular dynamics, docking, machine learning and AI platforms are being ...

A new bibliometric and pharmacological review of 423 Scopus-indexed publications maps four decades of anticancer quinazoline research, revealing a 2018 ...

A new review describes how molecular docking now supports PET probe development from virtual screening to tau tracer evaluation, while ...

Methanol extracts of lesser chickweed from Egypt showed the strongest phenolic content, antioxidant scavenging, and antimicrobial activity in new laboratory ...

A dansyl-tagged aldazine probe inhibits fructose- and methylglyoxal-driven BSA glycation from early Amadori products to advanced cross-links through conformation-selective binding ...

Researchers identified two porcine skin collagen peptides, FGPYGF and GPPSGGFG, that protected UVB-damaged human keratinocytes in cell culture by acting ...

A computational study identified KRT14 and MMP10 as macrophage-associated candidate biomarkers of chemoradiotherapy response in esophageal squamous cell carcinoma.

A multi-omics study computationally nominates the gut microbe Lachnoclostridium and the gene ENO1 as candidates in inflammatory myopathies, with cell ...

University of Tsukuba researchers have launched "Anyone Can Dock," a browser-based platform that automates molecular docking workflows and adds AI-assisted ...

A purely computational study screened 407,270 natural compounds against the dengue virus RNA-dependent RNA polymerase and identified four candidates with ...

A computational study of six Andrographis paniculata diterpenoids found that andrograpanin, though not the top docking scorer, engaged the broadest ...

A Peganum harmala leaf extract was used to synthesize a CuO-ZnO nanocomposite that inhibited bacterial and fungal growth in laboratory ...

A triterpenoid isolated from an Algerian desert plant inhibited several Candida species in vitro and showed stable computed binding to ...

A computational study combining database mining, network analysis and molecular docking identifies TP53, AKT1, IL6 and CCND1 as potential resveratrol ...

A fully computational study reports a 344-residue multi-epitope vaccine targeting the tumor-associated protein SART3 with favorable predicted stability, TLR4 binding ...

A new study reports that the flavonoid trilobatin reduced airway inflammation in a mouse model of asthma by suppressing NLRP3 ...

A new study combined pharmacopoeial quality testing, GC–MS profiling and computational network pharmacology to standardise the Ayurvedic hydro-distillate Guduchi Arka, ...

A lab study reports one-pot sunlight synthesis of quercetin-functionalized silver and gold nanoparticles that showed enhanced antioxidant, antibacterial, and cell-line ...

A computational study identified 206 shared genes and an exploratory four-gene signature linking chlorpyrifos targets to autism-associated pathways.

A computational study has designed a multi-epitope tuberculosis vaccine candidate from conserved immunoreactive peptides, fused to a non-toxic enterotoxin fragment ...