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Phytochemicals

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Antimicrobial Activity of Tea and Agarwood Leaf Extracts Against Multidrug-Resistant Microbes.

BioMed research international
Emerging multidrug-resistant (MDR) strains are the main challenges to the progression of new drug discovery. To diminish infectious disease-causing pathogens, new antibiotics are required while the drying pipeline of potent antibiotics is adding to t...

Deep Learning Combined with Hyperspectral Imaging Technology for Variety Discrimination of .

Molecules (Basel, Switzerland)
Traditional Chinese herbal medicine (TCHM) plays an essential role in the international pharmaceutical industry due to its rich resources and unique curative properties. The flowers, stems, and leaves of Fritillaria contain a wide range of phytochemi...

Multi-target meridians classification based on the topological structure of anti-cancer phytochemicals using deep learning.

Journal of ethnopharmacology
ETHNOPHARMACOLOGICAL RELEVANCE: Traditional Chinese medicine (TCM) meridian is the key theoretical guidance of prescription against tumor in clinical practice. However, there is no scientific and systematic verification of therapeutic action of herbs...

Potent multi-target natural inhibitors against SARS-CoV-2 from medicinal plants of the Himalaya: a discovery from hybrid machine learning, chemoinformatics, and simulation assisted screening.

Journal of biomolecular structure & dynamics
The emergence and immune evasion ability of SARS-CoV-2 Omicron strains, mainly BA.5.2 and BF.7 and other variants of concern have raised global apprehensions. With this context, the discovery of multitarget inhibitors may be proven more comprehensive...

Artificial neural networks (ANN)-genetic algorithm (GA) optimization on thermosonicated achocha juice: kinetic and thermodynamic perspectives of retained phytocompounds.

Preparative biochemistry & biotechnology
The extraction of phytocompounds from Achocha () vegetable juice using traditional methods often results in suboptimal yields and efficiency. This study aimed to enhance the extraction process through the application of thermosonication (TS). To achi...

Predicting structure-targeted food bioactive compounds for middle-aged and elderly Asians with myocardial infarction: insights from genetic variations and bioinformatics-integrated deep learning analysis.

Food & function
Myocardial infarction (MI) is a significant global health issue. Despite the advances in genome-wide association studies, a complete genetic and molecular understanding of MI is elusive and needs to be fully explored. This study aimed to elucidate th...

Artificial neural network in optimization of bioactive compound extraction: recent trends and performance comparison with response surface methodology.

Analytical sciences : the international journal of the Japan Society for Analytical Chemistry
Plant products and its by-products are rich source of bioactive compounds like antioxidants, flavonoids, phenolics, pigments and phytochemicals. Bioactive compound's health-promoting properties are well studied. However, optimal extraction of bioacti...

Identification of potent phytochemicals against Magnaporthe oryzae through machine learning aided-virtual screening and molecular dynamics simulation approach.

Computers in biology and medicine
Magnaporthe oryzae stands as a notorious fungal pathogen responsible for causing devastating blast disease in cereals, leading to substantial reductions in grain production. Despite the usage of chemical fungicides to combat the pathogen, their effec...

Sustainable extraction of phytochemicals from Mentha arvensis using supramolecular eutectic solvent via microwave Irradiation: Unveiling insights with CatBoost-Driven feature analysis.

Ultrasonics sonochemistry
The present study revealed the higher extraction potential of sustainable choline chloride (ChCl) and ethylene glycol (EG) based deep eutectic solvent (DES) from Mentha arvensis via microwave irradiation. The categorical boosting (CatBoost) machine l...

Integrating machine learning driven virtual screening and molecular dynamics simulations to identify potential inhibitors targeting PARP1 against prostate cancer.

Scientific reports
Prostate cancer (PC) is one of the most common types of malignancies in men, with a noteworthy increase in newly diagnosed cases in recent years. PARP1 is a ubiquitous nuclear enzyme involved in DNA repair, nuclear transport, ribosome synthesis, and ...