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Multifaceted anti-infective efficacy of Alstonia scholaris (Mizoram chemotype) against fungal, malarial, and intestinal helminth pathogens: in vitro validation and molecular docking insights

This study aimed to evaluate the multifaceted anti-infective efficacy of a geographically distinct Mizoram chemotype of A. scholaris through in vitro assays and molecular docking analyses.

Deciphering the anticoccidial mechanism of Qinghao Changshan formula through network pharmacology and molecular docking

This study aimed to elucidate the active components and molecular mechanisms of QHCS against coccidiosis using an integrated approach combining network pharmacology and molecular docking.

In silico molecular docking and in vitro analysis of ethanolic extract Ocimum sanctum Linn.: Inhibitory and apoptotic effects against non-small cell lung cancer

determine the inhibitory and apoptotic activity of the ethanolic extract from Ocimum sanctum Linn. (EEOS) by in silico molecular docking

Pharmacological and molecular insights into linalool-rich Coriandrum sativum essential oil: Anticonvulsant, analgesic, anti-inflammatory, and antioxidant potential in rodent models

This study aimed to chemically characterize Peruvian CsEO and assess its anticonvulsant, analgesic, anti-inflammatory, and antioxidant effects, alongside those of pure linalool, while elucidating potential mechanisms through cytokine modulation and molecular …

Phytochemical inhibition of quorum sensing and biofilm formation by Paederia foetida Linn. against multidrug-resistant Acinetobacter baumannii: An integrated in vitro and in silico investigation

This study aimed to evaluate the antibiofilm and anti-QS potential of Paederia foetida Linn. ethanolic extract against A. baumannii, integrating gas chromatography–mass spectrometry (GC-MS) profiling, molecular docking, and in vitro assays.

In vitro evaluation of anti-dengue activity of Zingiber officinale extract against four dengue virus serotypes: LC-HRMS metabolomic profiling and NS2B-NS3 protease interaction analysis

This study evaluated the in vitro antiviral activity and cytotoxicity of Z. officinale ethanolic extract and characterized its metabolites and predicted interactions with DENV NS2B-NS3 proteases.

Metabolite profiling and antimalarial activity of Azadirachta indica leaf extract: An integrated in vivo and in silico investigation

This study aimed to characterize the metabolites of A. indica leaf extract, evaluate its antimalarial activity against Plasmodium berghei, and investigate predicted interactions between selected metabolites and parasite-associated proteins.

Anthelmintic activity and mechanistic insights into Piper betle L. essential oil against adult Ascaridia galli: An integrated in vitro, ultrastructural, histopathological, and in silico study

This study evaluated the in vitro anthelmintic activity of PBEO against adult A. galli and investigated associated structural damage, chemical composition, and potential molecular targets.

Integrated molecular, immunoinformatic, and structural analysis reveals emerging antigenic divergence of Foot-and-mouth disease virus serotype O during the 2022–2023 outbreaks in Indonesia

This study aimed to integrate molecular, immunoinformatic, and structural analyses to characterize FMDV serotype O isolates from West Java and South Sumatra and to assess their implications for antigenicity, immune recognition, and vaccine matching.

Novel multi-epitope vaccine candidate for lumpy skin disease: Computational design and recombinant expression

This study aimed to design, simulate, and express a novel multi-epitope vaccine (MEV) candidate against LSDV using a computational immunoinformatic pipeline.

In vitro and in silico investigations of Propolis-derived phytochemicals as potential inhibitors of Plasmodium falciparum

This study aimed to evaluate the anti-Plasmodium potential of Propolis extracts collected from various Iranian regions and to characterize the molecular interactions of their bioactive phytochemicals with P. falciparum lactate dehydrogenase (PfLDH), a key enz…

In silico study of the potential of curcumin and its derivatives for increasing wild-type p53 expression and improving the function of p53 mutant R273H

Anti-adherent effects of Rhizophora apiculata bark and leaf extracts and computational prediction of the effects of its compound on β-tubulin interaction in Acanthamoeba triangularis genotype 4

Immunoinformatic prediction to identify Staphylococcus aureus peptides that bind to CD8+ T-cells as potential vaccine candidates

This study sheds light on the design and development of S. aureus vaccines, highlighting the significance of employing computational methods in conjunction with experimental verification.

In vitro and in silico study on the seeds of Veitchia merrillii on trematode worms

The study aims to evaluate the anthelmintic efficacy of Veitchia merrillii against trematode worms such as Paramphistomum spp. and Fasciola hepatica.