Design and synthesis of novel pyrazolone based coordination compounds: DNA synergy, biological screening, apoptosis, molecular docking and in-silico ADMET profile
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2019.07.059
Abstract: Abstract In this research, eight biologically significant novel mixed ligand complexes were prepared from 9-Anthraldehyde, 4-Aminoantipyrine, 1,10-Phenanthroline and metal chlorides. The synthesized compounds were characterized by different physicochemical and multispectral investigation and revealed that the… read more here.
Keywords: synthesized compounds; molecular docking; dna synergy; screening ... See more keywords
Advancing ADMET prediction through multiscale fragment-aware pretraining with MSformer-ADMET
Sign Up to like & getrecommendations! Published in 2025 at "Briefings in Bioinformatics"
DOI: 10.1093/bib/bbaf506
Abstract: Abstract Absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties are critical determinants of the pharmacokinetic and safety profiles of drug candidates. Accurate and early-stage prediction of ADMET characteristics is essential for reducing late-stage attrition rates,… read more here.
Keywords: admet prediction; msformer admet; prediction; admet ... See more keywords
The Apathy in Dementia Methylphenidate Trial 2 (ADMET 2): study protocol for a randomized controlled trial
Sign Up to like & getrecommendations! Published in 2018 at "Trials"
DOI: 10.1186/s13063-017-2406-5
Abstract: BackgroundAlzheimer’s disease (AD) is characterized not only by cognitive and functional decline, but also often by the presence of neuropsychiatric symptoms. Apathy, which can be defined as a lack of motivation, is one of the… read more here.
Keywords: apathy dementia; trial; methylphenidate trial; admet ... See more keywords
Larvicidal Activities of 2-Aryl-2,3-Dihydroquinazolin -4-ones against Malaria Vector Anopheles arabiensis, In Silico ADMET Prediction and Molecular Target Investigation
Sign Up to like & getrecommendations! Published in 2020 at "Molecules"
DOI: 10.3390/molecules25061316
Abstract: Malaria, affecting all continents, remains one of the life-threatening diseases introduced by parasites that are transmitted to humans through the bites of infected Anopheles mosquitoes. Although insecticides are currently used to reduce malaria transmission, their… read more here.
Keywords: arabiensis silico; dihydroquinazolin ones; molecular target; admet ... See more keywords
Evaluation of Free Online ADMET Tools for Academic or Small Biotech Environments
Sign Up to like & getrecommendations! Published in 2023 at "Molecules"
DOI: 10.3390/molecules28020776
Abstract: For a new molecular entity (NME) to become a drug, it is not only essential to have the right biological activity also be safe and efficient, but it is also required to have a favorable… read more here.
Keywords: admet; small biotech; free online; evaluation free ... See more keywords
Molecular Docking and Secondary Metabolite ADMET Studies from Curcuma longa Linn. as an Antithrombotic
Sign Up to like & getrecommendations! Published in 2025 at "Research Journal of Pharmacy and Technology"
DOI: 10.52711/0974-360x.2025.00023
Abstract: D-dimer is a fibrin degradation residue that occurs when the fibrinolytic system disassembles a formed blood clot. Higher D-dimer levels may indicate an abnormal blood clotting state, potentially related to increased FXII activation. Anticoagulant drugs… read more here.
Keywords: molecular docking; docking secondary; longa linn; secondary metabolite ... See more keywords