Results 51 to 60 of about 96,143 (246)

Decoding Tattoo and Permanent Makeup Pigments: Linking Physicochemical Properties to Absorption, Distribution, Metabolism, and Elimination Profiles Using Quantitative Structure–Activity Relationship (QSAR)‐Based New Approach Methodologies (NAMs)

Advanced Intelligent Discovery, EarlyView.
This study applies QSAR‐based new approach methodologies to 90 synthetic tattoo and permanent makeup pigments, revealing systemic links between their physicochemical properties and absorption, distribution, metabolism, and elimination profiles. The correlation‐driven analysis using SwissADME, ChemBCPP, and principal component analysis uncovers insights
Girija Bansod, Ajay Vikram Singh, Preeti Bhardwaj, Tulika Rai, Sweta Vijay Nakhale, Amruta Shelar, Rajendra Patil, Peter Laux, Andreas Luch, Christopher J. Osgood, Michael W. Stacey   +10 more
wiley   +1 more source

Metals-triggered compound CDPDP exhibits anti-arthritic behavior by downregulating the inflammatory cytokines, and modulating the oxidative storm in mice models with extensive ADMET, docking and simulation studies

Frontiers in Pharmacology, 2022
Graphical ...
Syed Shams ul Hassan, Syed Shams ul Hassan, Syed Qamar Abbas, Ishaq Muhammad, Ishaq Muhammad, Jia-Jia Wu, Jia-Jia Wu, Shi-Kai Yan, Shi-Kai Yan, Fawad Ali, Muhammad Majid, Hui-Zi Jin, Hui-Zi Jin, Simona Bungau   +13 more
doaj   +1 more source

Genetic programming in data mining for drug discovery [PDF]

, 2004
Genetic programming (GP) is used to extract from rat oral bioavailability (OB) measurements simple, interpretable and predictive QSAR models which both generalise to rats and to marketed drugs in humans. Receiver Operating Characteristics (ROC) curves
Barrett, S.J., Langdon, W.B.
core   +2 more sources

Accelerating Primary Screening of USP8 Inhibitors from Drug Repurposing Databases with Tree‐Based Machine Learning

Advanced Intelligent Discovery, EarlyView.
This study introduces a tree‐based machine learning approach to accelerate USP8 inhibitor discovery. The best‐performing model identified 100 high‐confidence repurposable compounds, half already approved or in clinical trials, and uncovered novel scaffolds not previously studied. These findings offer a solid foundation for rapid experimental follow‐up,
Yik Kwong Ng, Sharon Ai Er Lam, Wei Chun Lim, Hannah Hui Min Toh, Shi Jun Ang   +4 more
wiley   +1 more source

Functionalized hyperbranched polymers via olefin metathesis [PDF]

, 2009
Hyperbranched polymers are highly branched, three-dimensional macromolecules which are closely related to dendrimers and are typically prepared via a one-pot polycondensation of AB_(n≥2) monomers.^1 Although hyperbranched macromolecules lack the ...
Gorodetskaya, Irina A., Gorodetsky, Alon A., Grubbs, Robert H., Vinogradova, Ekaterina V.   +3 more
core   +1 more source

QSAR studies on Withanolide analogs for anticancer activity [PDF]

, 2011
Withanolides are a group of pharmacologically active compounds present in most prodigal amounts in roots and leaves of Withania somnifera (Indian ginseng), one of the most important medicinal plants of Indian systems of medicine.
Dharmendra Kumar Yadav, Feroz Khan, Rajender S. Sangwan   +2 more
core   +2 more sources

Pharmacological evaluation of Adenostemma lavenia acetone extract in Swiss Albino mice: Analgesic, anti‐inflammatory, and thrombolytic insights from in vivo, in vitro, density functional theory, and molecular docking studies

Animal Models and Experimental Medicine, EarlyView.
Adenostemma lavenia, a traditionally used medicinal plant, has been employed to manage pain, inflammation, and circulatory issues. This study investigates the analgesic, anti‐inflammatory, and thrombolytic potentials of the acetone extract of A. lavenia leaves (AEAL) using in vivo, in vitro, and in silico methods.
Nusrat Jahan Moon, Mahathir Mohammad, Md. Jahirul Islam Mamun, Fahmina Binty Azim Nova, Nazmul Hasan Eshaque, Md. Hossain Rasel, Zobayed Islam, Md. Mahmudul Hasan, Md. Liakot Ali, Md. Tanvir Chowdhury, S. M. Moazzem Hossen   +10 more
wiley   +1 more source

Novel 1,3,4-Thiadiazole Derivatives as Antibiofilm, Antimicrobial, Efflux Pump Inhibiting Agents and Their ADMET Characterizations

Hittite Journal of Science and Engineering, 2023
In this study, 1,3,4-thiadiazole derivatives were obtained from the reaction of benzophenone-4,4'-dicarboxylic acid and N-substitute-thiosemicarbazide compounds with each other.
Ergin Murat Altuner, Muhammet Çavuş, İzzet Şener, Merve Şenturan, Çiğdem Şahin, Nesrin Şener, Eda Altınöz, Merve Zurnacı, Mahmut Gür   +8 more
doaj   +1 more source

Lorentzian Flat Lie Groups Admitting a Timelike Left-Invariant Killing Vector Field [PDF]

, 2013
We call a connected Lie group endowed with a left-invariant Lorentzian flat metric Lorentzian flat Lie group. In this Note, we determine all Lorentzian flat Lie groups admitting a timelike left-invariant Killing vector field.
Lebzioui, Hicham
core   +2 more sources

Boundary singularities of positive solutions of some nonlinear elliptic equations [PDF]

, 2007
We study the behaviour near a boundary point a of any positive solution of a nonlinear elliptic equations with forcing term which vanishes on the boundary except at a.
Bidaut-Veron, Marie-Francoise, Ponce, Augusto, Veron, Laurent   +2 more
core   +4 more sources