Mechanistic insights on nsSNPs on binding site of renin and cytochrome P450 proteins: A computational perceptual study for pharmacogenomics evaluation
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Cellular Biochemistry"
DOI: 10.1002/jcb.30069
Abstract: Past several decades, therapeutic investigations lead to the discovery of numerous antihypertensive drugs. Although it has been proved for their potency, altered efficacy is common norms in several conditions due to genetic variations. Cytochrome P450… read more here.
Keywords: study; drug; drug molecules; cytochrome p450 ... See more keywords
A polychromatic turbidity microplate assay to distinguish discovery stage drug molecules with beneficial precipitation properties.
Sign Up to like & getrecommendations! Published in 2017 at "International journal of pharmaceutics"
DOI: 10.1016/j.ijpharm.2017.07.086
Abstract: A material sparing microplate screening assay was developed to evaluate and compare the precipitation of discovery stage drug molecules as a function of time, concentration and media composition. Polychromatic turbidity time course profiles were collected… read more here.
Keywords: precipitation; drug molecules; discovery stage; turbidity ... See more keywords
PrimaDORAC: A Free Web Interface for the Assignment of Partial Charges, Chemical Topology, and Bonded Parameters in Organic or Drug Molecules.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.7b00145
Abstract: We present PrimaDORAC, a simple and freely accessible web interface for generating the topology and the parameter files of organic or drug molecules to be used in molecular mechanics or molecular dynamics calculations. The interface… read more here.
Keywords: organic drug; web interface; topology; drug molecules ... See more keywords
Prediction of Membrane Permeation of Drug Molecules by Combining an Implicit Membrane Model with Machine Learning
Sign Up to like & getrecommendations! Published in 2019 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.8b00648
Abstract: Lipid membrane permeation of drug molecules was investigated with Heterogeneous Dielectric Generalized Born (HDGB)-based models using solubility-diffusion theory and machine learning. Free energy profiles were obtained for neutral molecules by the standard HDGB and Dynamic… read more here.
Keywords: machine learning; permeation drug; drug molecules; membrane ... See more keywords
Diffusion Behavior of Drug Molecules in Acrylic Pressure-Sensitive Adhesive
Sign Up to like & getrecommendations! Published in 2020 at "ACS Omega"
DOI: 10.1021/acsomega.0c00491
Abstract: Acrylic pressure-sensitive adhesive (PSA) is widely used in transdermal drug delivery systems, while the diffusion behavior of drug molecules in PSA is of great importance. In this paper, PSAs with different cross-link densities were prepared… read more here.
Keywords: diffusion behavior; diffusion; acrylic pressure; drug ... See more keywords
Late-Stage C(sp3)-H Methylation of Drug Molecules.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c13396
Abstract: Methyl groups are well understood to play a critical role in pharmaceutical molecules, especially those bearing saturated heterocyclic cores. Accordingly, methods that install methyl groups onto complex molecules are highly coveted. Late-stage C-H functionalization is… read more here.
Keywords: methyl groups; drug molecules; stage sp3; late stage ... See more keywords
Abstract 827: Comparative study of calcein encapsulation into nanoparticles using three different micromixers as a model for small drug molecules
Sign Up to like & getrecommendations! Published in 2023 at "Cancer Research"
DOI: 10.1158/1538-7445.am2023-827
Abstract: Background: Liposomes are spherical vesicles made of a lipid bilayer and are effective nanocarriers for drug molecules such as chemotherapeutic agents. Micromixers are devices that allow consistent liposome production while more efficiently controlling their characteristics… read more here.
Keywords: ring micromixer; drug molecules; encapsulation; calcein ... See more keywords
Targets preliminary screening for the fresh natural drug molecule based on Cosine-correlation and similarity-comparison of local network
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Translational Medicine"
DOI: 10.1186/s12967-022-03279-w
Abstract: Background Chinese herbal medicine is made up of hundreds of natural drug molecules and has played a major role in traditional Chinese medicine (TCM) for several thousand years. Therefore, it is of great significance to… read more here.
Keywords: drug; fresh natural; medicine; natural drug ... See more keywords
Progress in Target Drug Molecules for Alzheimer's Disease.
Sign Up to like & getrecommendations! Published in 2019 at "Current topics in medicinal chemistry"
DOI: 10.2174/1568026619666191203113745
Abstract: Alzheimer's disease (AD) is a chronic neurodegenerative disease that is widespread in the elderly. The etiology of AD is complicated, and its pathogenesis is still unclear. Although there are many researches on anti-AD drugs, they… read more here.
Keywords: progress target; alzheimer disease; disease; drug molecules ... See more keywords
Enhancing Permeation of Drug Molecules Across the Skin via Delivery in Nanocarriers: Novel Strategies for Effective Transdermal Applications
Sign Up to like & getrecommendations! Published in 2021 at "Frontiers in Bioengineering and Biotechnology"
DOI: 10.3389/fbioe.2021.646554
Abstract: The transdermal route of administration provides numerous advantages over conventional routes i.e., oral or injectable for the treatment of different diseases and cosmetics applications. The skin also works as a reservoir, thus deliver the penetrated… read more here.
Keywords: permeation drug; enhancing permeation; delivery; skin ... See more keywords
Computational Study of the Interaction of a PEGylated Hyperbranched Polymer/Doxorubicin Complex with a Bilipid Membrane
Sign Up to like & getrecommendations! Published in 2019 at "Fluids"
DOI: 10.3390/fluids4010017
Abstract: Fully atomistic molecular dynamics simulations are employed to study in detail the interactions between a complex comprised by a PEGylated hyperbranched polyester (HBP) and doxorubicin molecules, with a model dipalmitoylphosphatidylglycerol membrane in an aqueous environment.… read more here.
Keywords: drug; membrane; study; hyperbranched polymer ... See more keywords