Results 41 to 50 of about 1,944,029 (193)
Challenging the Drug-Likeness Dogma for New Drug Discovery in Tuberculosis
Frontiers in Microbiology, 2018 The emergence of multi- and extensively drug resistant tuberculosis worldwide poses a great threat to human health and highlight the need to discover and develop new, effective and inexpensive antituberculosis agents.
Diana Machado +3 more
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Copper-mediated synthesis of drug-like bicyclopentanes
Nature, 2020 Multicomponent reactions are relied on in both academic and industrial synthetic organic chemistry owing to their step- and atom-economy advantages over traditional synthetic sequences1. Recently, bicyclo[1.1.1]pentane (BCP) motifs have become valuable as pharmaceutical bioisosteres of benzene rings, and in particular 1,3-disubstituted BCP moieties ...
Xiaheng Zhang +6 more
openaire +3 more sources
A New Hydrazide-Hydrazone Based Schiff Base: Synthesis, DFT Calculations, in Silico Pharmacokinetics and Toxicity, Inhibitory Activity Against Tau Aggregation and SARS-CoV-2 Mpro [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2023 We report here a new imine compound (Schiff base) with a hydrazide-hydrazone moiety, N'-(5-nitro-2-(piperidin-1-yl)benzylidene)benzohydrazide. The present work deals with synthesis, spectral and structural characterization, in silico drug-likeness ...
Songül Şahin, Necmi Dege
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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
Heliyon, 2023 Alzheimer's disease (AD) is a neurodegenerative disorder characterized by cognitive impairment and neuronal death. Fifteen flavonoids from Millettia brandisiana were evaluated for the multifunctional effect against AD pathogenesis, including ...
Puguh Novi Arsito +7 more
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Pharmacokinetic properties of 125 carotenoids with appropriate drug-likeness property.
, 2022 Pharmacokinetic properties of 125 carotenoids with appropriate drug-likeness property.
Mohammad Ali Amoozegar (2370607) +4 more
core +1 more source
Scientific African, 2023 Multidrug-resistant (MDR) bacteria in biofilms are frequently linked with persistent infections across healthcare settings, due to their virulence factors.
Itumeleng T. Baloyi +3 more
doaj +1 more source
Predicted drug-likeness and toxicity properties of Salvia fruticosa compounds
, 2023 The datasets present computationally predicted drug-likeness and toxicity profiles of Salvia frutocosa ...
Farirai Mandivenga, Ryman Shoko
core +1 more source
Structure-aware generation of drug-like molecules
CoRR, 2021 Structure-based drug design involves finding ligand molecules that exhibit structural and chemical complementarity to protein pockets. Deep generative methods have shown promise in proposing novel molecules from scratch (de-novo design), avoiding exhaustive virtual screening of chemical space. Most generative de-novo models fail to incorporate detailed
Drotár, Pavol +4 more
openaire +4 more sources
National Journal of Physiology, Pharmacy and Pharmacology, 2020 Background: Andrographis paniculata used in Siddha system of medicine as nilavembu. The scientific rationale and possible pharmacokinetic and toxicological profile of ingredients responsible for the activity are yet to be explored.
Subash K R
doaj +1 more source