We report in this study the influence of green solvents (water and DMSO) effect in structural
parameters, frontier molecular orbital's (FMO's) and molecular electrostatic potential surface …

A new Schiff base (E) 2-hydroxy-5-(((4-(N-pyrimidin-2-yl) sulfamoyl) phenyl) imino) methyl
benzoic acid (5FSADA) compound was synthesized by condensation of 5-formyl salicylic …

A new Schiff base (Z)-4-((furan-2-ylmethylene) amino) benzenesulfonamide (FURNI) was
synthesized by the reaction reaction between furfural and sulfanilamide followed by …

In this research article we report the computational solvation studies of two biologically
active neurotransmitters l-aspartic acid and l-glutamic acid. Calculations and optimizations …

Tea is a very important source of the terepenoid α-ionone, which is much appreciated as a
medicinal beverage. Schiff bases are a very important class of organic compounds usually …

This manuscript aims to study the structure and the other physical and chemical properties of
triclabendazole, which is used to treat liver flukes, with the help of electronic structure …

Atogepant is a new drug developed for treating migraine in adults, marking it active with a
calcitonin gene-related peptide (CGRP) receptor antagonist, which can be used to prevent …

This manuscript focuses on studying the interactions between two crucial neurotransmitters,
serotonin and histamine, and common solvents such as water and ethanol. By examining …

Metformin, brand name Glucophage, is a medication used to regulate blood sugar levels in
patients who have Type 2 diabetes. This drug has been in use for decades, and the main …

In this research article, we present the solvation studies of two neurotransmitters glycine,
and GABA. Calculations and optimizations have been performed using the PBE0-D3/def2 …