[HTML][HTML] … analysis of different solvent extracts of Ferula communis L. fruit reveals phenolic compounds and their biological properties via in vitro and in silico assays

G Nouioura, M El Fadili, A El Barnossi, EH Loukili… - Scientific Reports, 2024 - nature.com
… therapeutic development through predicted compound–… investigations on the biological
activity of wild Moroccan F. … /raw material ratio is a critical factor affecting extraction yield …

In silico analysis of the antimicrobial activity of phytochemicals: towards a technological breakthrough

S Rampone, C Pagliarulo, C Marena, A Orsillo… - Computer Methods and …, 2021 - Elsevier
… susceptibility/resistance to antimicrobial drugs. In particular, … However, predicting the
biological activity basing on the … , in an attempt to evaluate the capacity of in silico instruments to …

[HTML][HTML] Phytochemical, In Vitro, In Vivo, and In Silico Research on the Extract of Ajuga chamaepitys (L.) Schreb.

E Ionus, V Schröder, CL Chiţescu, LA Bucur, CE Lupu… - Plants, 2024 - mdpi.com
… further chose to discuss the predicted interactions between the … Extractions were performed
separately for each type of sample … The biological activities of the phytoconstituents that were …

Extraction Yield, Chemical Composition, Preliminary Toxicity of Bignonia nocturna (Bignoniaceae) Essential Oil and in Silico Evaluation of the Interaction

M Santana de Oliveira… - Chemistry & …, 2021 - Wiley Online Library
… The extractions were carried out by hydrodistillation, … their potential applications as promoters
of biological activities. … After our protocol had been optimized to predict an interaction mode …

[HTML][HTML] Which Extraction Solvents and Methods Are More Effective in Terms of Chemical Composition and Biological Activity of Alcea fasciculiflora from Turkey?

RB Ozturk, G Zengin, KI Sinan, D Montesano… - Molecules, 2022 - mdpi.com
… limited access to modern drugs, for many years [1]. Indeed, the use of medicinal plants is an
… Compounds with smaller size and low polarity were predicted to fall within all or any of the …

[HTML][HTML] … oils and lipophilic extracts obtained by conventional and greener extraction techniques: chemometric approach to chemical composition and biological activity

G Zengin, A Mollica, J Arsenijević, B Pavlić, Z Zeković… - Separations, 2022 - mdpi.com
… products of chamomile, and medicinal herbs in general, is a … This can be predicted by
using computer-based models … Extractions were performed at a fixed set temperature (40 C), …

Anticoagulant active ingredients identification of total saponin extraction of different Panax medicinal plants based on grey relational analysis combined with UPLC …

Y Ren, J Ai, X Liu, S Liang, Y Zheng, X Deng… - Journal of …, 2020 - Elsevier
… the effective substance in Panax genus medicinal plants … Finally, molecular docking was
used to verify and predict the … The total saponins extractions of 8 Panax samples were diluted in …

Untargeted metabolomics‐based identification of bioactive compounds from Mangifera indica L. seed extracts in drug discovery through molecular docking and …

M Kaneria, K Rakholiya, KR Bavaliya… - Journal of the …, 2024 - Wiley Online Library
Evaluation of antimicrobial activity … server and PASS (prediction of activity spectra for
substances) for virtual screening of … of antioxidants from selected Indian medicinal plants. …

Chemical characterization, computational analysis and biological views on Daphne gnidioides Jaub. & Spach extracts: Can a new raw material be provided for …

TH Can, EF Tufekci, YC Altunoglu, MC Baloglu… - Computational biology …, 2020 - Elsevier
antibacterial effects of active substances in medicinal plants … Therefore, it was investigated
antibacterial activities of … According to in silico experiments results, this substance had the …

[HTML][HTML] In silico approach in reveal traditional medicine plants pharmacological material basis

F Yi, L Li, L Xu, H Meng, Y Dong, H Liu, P Xiao - Chinese medicine, 2018 - Springer
… whether they have potential no biological activity. It would be a … medicinal plant materials and
predict the potential bioactivity … in a medicinal plant is the initial raw material for determining …