vNN model cross validation towards Accuracy, Sensitivity, Specificity and kappa performance measures of β-caryophyllene using a restricted-unrestricted applicability domain on Artificial Intelligence & Machine Learning approach based in-silico prediction DOI Open Access

K. Krishnaveni,

M. Sabitha,

M. Murugan

и другие.

Journal of Drug Delivery and Therapeutics, Год журнала: 2022, Номер 12(1-S), С. 123 - 131

Опубликована: Фев. 22, 2022

Wide-reaching interest in use of plant derived secondary metabolites (PDSMs) has been growing world over. This implies that the beneficial effects based natural products (PBNPs) being rediscovered and harnessed for development novel drugs; drug-leads structural background drug design. Survey literature on indigenous traditional medicinal knowledge bestows ethnopharmacological potentials PBNPs inspired design through research discovery; provide baseline leads against various pharmacological targets. Studies indicate Cymbopogon martini Essential Oil (CMEO) exhibits a wide range biological activities (anticancer, antidiabetic, antibacterial, antifungal, antioxidant, hepatoprotective insecticide) attributed to presence bio-active (BASM). However, wide-spread application CMEO is limited because typical odor, color taste. In present study, In-silico Absorption, Distribution, Metabolism, Elimination, Toxicity (ADMET) studies β-caryophyllene (BCP) from martinii envisaged. enhances wound healing multiple routes therefore, Non AMES toxic, Non-carcinogens, biodegradable nature prospects this compound as considered an apt lead drugs treatment cuts wounds besides other diseases viz., diabetics, cancer, metabolic inflammation long term complications associated with these diseases. particular, BCP inhibits cytochrome P450 isoforms (CYP3A4) metabolize xenobiotics results adverse effects. Pharmacokinetic properties predicted score values have highlighted both toxicological aspects need be further investigated before put clinical trials. Keywords: ADMET; β-caryophyllene; martinii; Cardiotoxicity; Cytotoxicity; Drugability; Pharmacokinetics; Bioactivity; Oil;

Язык: Английский

Terpenes DOI
Virginie Xavier, Rafael Mascoloti Spréa, Tiane C. Finimundy

и другие.

Springer eBooks, Год журнала: 2023, Номер unknown, С. 107 - 156

Опубликована: Янв. 1, 2023

Язык: Английский

Процитировано

7

Bioactive Phytoconstituents and Biological Activities of Polygonum minus Huds. DOI

Christapher Parayil Varghese,

Vikneswaran Murugaiyah, Subramani Parasuraman

и другие.

Reference series in phytochemistry, Год журнала: 2024, Номер unknown, С. 1001 - 1019

Опубликована: Янв. 1, 2024

Язык: Английский

Процитировано

2

Cannabinoid Therapy in Athletics: A Review of Current Cannabis Research to Evaluate Potential Real-World Cannabinoid Applications in Sport DOI
E Thompson, Jane Alcorn, J. Patrick Neary

и другие.

Sports Medicine, Год журнала: 2024, Номер 54(11), С. 2743 - 2769

Опубликована: Авг. 21, 2024

Язык: Английский

Процитировано

2

Secondary metabolite profiles and anti‐SARS‐CoV‐2 activity of ethanolic extracts from nine genotypes of Cannabis sativa L. DOI Creative Commons
Ermin Schadich, Dominika Kaczorová, Tibor Béreš

и другие.

Archiv der Pharmazie, Год журнала: 2024, Номер 358(1)

Опубликована: Ноя. 14, 2024

Abstract This study deals with the comprehensive phytochemical composition and antiviral activity against SARS‐CoV‐2 of acidic (non‐decarboxylated) neutral (decarboxylated) ethanolic extracts from seven high‐cannabidiol (CBD) two high‐Δ 9 ‐tetrahydrocannabinol (Δ ‐THC) Cannabis sativa L. genotypes. Their secondary metabolite profiles, phytocannabinoid, terpenoid, phenolic, were determined by LC‐UV, GC‐MS, LC‐MS/MS analyses, respectively. All three cannabinoid, varied significantly among cannabinoid different The dose–response analyses their showed that only single predominant phytocannabinoids (CBD or THC) exhibited (all IC 50 < 10.0 μM). correlation matrix between phytoconstituent levels revealed phenolic acids, salicylic acid its glucoside, chlorogenic acid, ferulic flavonoids, abietin, luteolin, in high‐CBD genotypes are implicated genotype‐distinct antagonistic effects on phytocannabinoid. On other hand, these also suggested flavonoid orientin can enrich extract's pharmacological profiles. Thus, further preclinical studies extract formulations adjusted non‐phytocannabinoid compositions warranted to develop supplementary treatments.

Язык: Английский

Процитировано

2

vNN model cross validation towards Accuracy, Sensitivity, Specificity and kappa performance measures of β-caryophyllene using a restricted-unrestricted applicability domain on Artificial Intelligence & Machine Learning approach based in-silico prediction DOI Open Access

K. Krishnaveni,

M. Sabitha,

M. Murugan

и другие.

Journal of Drug Delivery and Therapeutics, Год журнала: 2022, Номер 12(1-S), С. 123 - 131

Опубликована: Фев. 22, 2022

Wide-reaching interest in use of plant derived secondary metabolites (PDSMs) has been growing world over. This implies that the beneficial effects based natural products (PBNPs) being rediscovered and harnessed for development novel drugs; drug-leads structural background drug design. Survey literature on indigenous traditional medicinal knowledge bestows ethnopharmacological potentials PBNPs inspired design through research discovery; provide baseline leads against various pharmacological targets. Studies indicate Cymbopogon martini Essential Oil (CMEO) exhibits a wide range biological activities (anticancer, antidiabetic, antibacterial, antifungal, antioxidant, hepatoprotective insecticide) attributed to presence bio-active (BASM). However, wide-spread application CMEO is limited because typical odor, color taste. In present study, In-silico Absorption, Distribution, Metabolism, Elimination, Toxicity (ADMET) studies β-caryophyllene (BCP) from martinii envisaged. enhances wound healing multiple routes therefore, Non AMES toxic, Non-carcinogens, biodegradable nature prospects this compound as considered an apt lead drugs treatment cuts wounds besides other diseases viz., diabetics, cancer, metabolic inflammation long term complications associated with these diseases. particular, BCP inhibits cytochrome P450 isoforms (CYP3A4) metabolize xenobiotics results adverse effects. Pharmacokinetic properties predicted score values have highlighted both toxicological aspects need be further investigated before put clinical trials. Keywords: ADMET; β-caryophyllene; martinii; Cardiotoxicity; Cytotoxicity; Drugability; Pharmacokinetics; Bioactivity; Oil;

Язык: Английский

Процитировано

12