Similar drug molecules

The primary aim of this article was to improve the solubility and bioavailability of the drugs nifedipine, niclosamide, and furosemide due to their poor solubility and dissolution rate. Therefore, these drugs require improvement in solubility and dissolution rate in formulation development, especially in solid dosage forms such as hydrogels and capsules. Hydrogel structures were synthesized by using a biocompatible, nontoxic, and protective pure 2-hydroxy ethyl methacrylate (HEMA) monomer.

13p lyhuyenthu 31-01-2023 7 2   Download

The blood–brain barrier (BBB) is a control mechanism that limits the diffusion of many substances to the central nervous system (CNS). In this study, we designed an in-vitro 3-dimensional BBB system to obtain a fast and reliable model to mimic drug delivery characteristics of the CNS. A support membrane of polycaprolactone nanofiber surfaces was prepared using electrospinning. After confirming the fiber morphology and size, endothelial cells (HUVEC) and glial cells were cultured on either side of this membrane.

12p thiencuuchu 27-11-2021 13 1   Download

Molecular structures can be represented as strings of special characters using SMILES. Since each molecule is represented as a string, the similarity between compounds can be computed using SMILES-based string similarity functions. Most previous studies on drug-target interaction prediction use 2D-based compound similarity kernels such as SIMCOMP.

11p vioklahoma2711 19-11-2020 10 2   Download

Phytochemicals and other molecules in foods elicit positive health benefits, often by poorly established or unknown mechanisms. While there is a wealth of data on the biological and biophysical properties of drugs and therapeutic compounds, there is a notable lack of similar data for compounds commonly present in food.

8p vicolorado2711 22-10-2020 10 0   Download

Experimental approaches for determining the metabolic properties of the drug candidates are usually expensive, time-consuming and labor intensive. There is a great deal of interest in developing computational methods to accurately and efficiently predict the metabolic decomposition of drug-like molecules, which can provide decisive support and guidance for experimentalist.

17p vijiraiya2711 27-05-2020 20 1   Download

Promiscuity in molecular interactions between small-molecules, including drugs, and proteins is widespread. Such unintended interactions can be exploited to suggest drug repurposing possibilities as well as to identify potential molecular mechanisms responsible for observed side-effects.

16p vimax2711 30-03-2020 9 1   Download

Chirality plays a major role in biological processes, and the enantiomers of a bioactive molecule often possess different biological effects. For example, all pharmacological activity may reside in one enantiomer of a molecule, or enantiomers may have identical qualitative and quantitative pharmacological activity. In some cases, enantiomers may have qualitatively similar pharmacological activity, but different quantitative potencies.

65p bigbaby87 03-09-2010 85 15   Download