Results 21 to 30 of about 1,944,029 (193)

Pharmacokinetics and Toxicity Overview of Active Compounds Berberine, Palmatine, and Jatrorrhizine From Fibraurea tinctoria Lour: Drug-Likeness, ADMET Prediction, and In Vivo Extract Toxicity Assessment [PDF]

open access: yesJournal of Toxicology
Fibraurea tinctoria Lour has long been used by the indigenous ethnic groups of Kalimantan in the traditional treatment of malaria, jaundice, and diabetes mellitus.
Indah Purwaningsih   +3 more
doaj   +2 more sources

Current Trends and Challenges in Drug-Likeness Prediction: Are They Generalizable and Interpretable?

open access: yesHealth Data Science, 2023
Importance: Drug-likeness of a compound is an overall assessment of its potential to succeed in clinical trials, and is essential for economizing research expenditures by filtering compounds with unfavorable properties and poor development potential.
Wenyu Zhu   +4 more
doaj   +1 more source

Not Drug-like, but Like Drugs: Cnidaria Natural Products

open access: yesMarine Drugs, 2021
Phylum Cnidaria has been an excellent source of natural products, with thousands of metabolites identified. Many of these have not been screened in bioassays.
Claire Laguionie-Marchais   +11 more
doaj   +1 more source

Prediction of Drug-likeness of Central Nervous System Drug Candidates Using a Feed-Forward Neural Network Based on Chemical Structure [PDF]

open access: yes, 2020
Modern medical science has been greatly advanced by the development of new drugs, despite the fact that the process of developing new drugs is costly and time-consuming.
Xiao, Wang, Yi-Gao, Yuan
core   +1 more source

Historeceptomic Fingerprints for Drug-Like Compounds [PDF]

open access: yesFrontiers in Physiology, 2015
Most drugs exert their beneficial and adverse effects through their combined action on several different molecular targets (polypharmacology). The true molecular fingerprint of the direct action of a drug has two components: the ensemble of all the receptors upon which a drug acts and their level of expression in organs/tissues.
Evgeny eShmelkov   +7 more
openaire   +3 more sources

Anti-parasitic drug discovery against Babesia microti by natural compounds: an extensive computational drug design approach

open access: yesFrontiers in Cellular and Infection Microbiology, 2023
Tick-borne Babesiosis is a parasitic infection caused by Babesia microti that can infect both animals and humans and may spread by tick, blood transfusions, and organ transplantation. The current therapeutic options for B.
Shopnil Akash   +11 more
doaj   +1 more source

Natural flavonoids in Delonix regia leaf as an antimycobacterial agent: An in silico study [PDF]

open access: yesJournal of the Serbian Chemical Society, 2023
Multi-drug resistant (MDR) and extensively-drug resistant (XDR) as results of continuous use of antibiotics encourage the development of new antimycobacterial drugs.
Tjitda Putra Jiwamurwa Pama   +3 more
doaj   +1 more source

Drug Likeness Screening of Black Soybean Flavonoids

open access: yes, 2023
Screening of drug-likeness and toxicity of compounds contained in black soybeans. A) Screening for drug-likeness, B) Toxicity screening, C) 2D structure of compounds that pass the screening.
Ricadonna Raissa (12081878)   +1 more
core   +1 more source

The drug likeness analysis of anti-inflammatory clerodane diterpenoids

open access: yesChinese Medicine, 2020
Inflammation is an active defense response of the body against external stimuli. Long term low-grade inflammation has been considered as a deteriorated factor for aging, cancer, neurodegeneration and metabolic disorders.
Zheling Feng   +3 more
doaj   +1 more source

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