Results 11 to 20 of about 1,381,560 (302)
Drug repositioning for enzyme modulator based on human metabolite-likeness
BMC Bioinformatics, 2017 Background Recently, the metabolite-likeness of the drug space has emerged and has opened a new possibility for exploring human metabolite-like candidates in drug discovery.
Yoon Hyeok Lee +4 more
doaj +2 more sources
Prediction of Drug-Likeness Using Deep Autoencoder Neural Networks [PDF]
Frontiers in Genetics, 2018 Due to diverse reasons, most drug candidates cannot eventually become marketed drugs. Developing reliable computational methods for prediction of drug-likeness of candidate compounds is of vital importance to improve the success rate of drug discovery ...
Qiwan Hu +4 more
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Drug-likeness scoring based on unsupervised learning
Chemical Science, 2022 A new quantification method of drug-likeness based on unsupervised learning. The method only uses drug molecules as training set without any non-drug-like molecules.
Kyunghoon Lee +4 more
openaire +4 more sources
DrugMetric: quantitative drug-likeness scoring based on chemical space distance [PDF]
Briefings in BioinformaticsLiu Ziqi
exaly +2 more sources
Historeceptomic Fingerprints for Drug-Like Compounds [PDF]
Frontiers 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
Frontiers 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]
Journal 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
ADMET, drug-likeness and toxicity computation of N-cyclohexylmethacrylamide [PDF]
, 2021 Cancer is an uncontrolled growth of normal cells and apoptosis has an important role in cancer progression and cancer treatment. Antiapoptotic proteins are overexpressed in several tumors including breast, brain, lung cancer cells.
Azarkan, Serap Yalçın +5 more
core +1 more source
The drug likeness analysis of anti-inflammatory clerodane diterpenoids
Chinese 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
Isoliensinine: A Natural Compound with “Drug-Like” Potential [PDF]
Frontiers in Pharmacology, 2021 Isoliensinine, a bisbenzylisoquinoline alkaloid isolated from Nelumbo nucifera Gaertn, exerts a variety of beneficial effects, such as antitumor, cardioprotective, antioxidant, antidepressant, and anti-HIV effects, and ameliorates T2DM with hyperlipidemia and Alzheimer’s disease.
Yan Cheng +12 more
openaire +3 more sources