Sulfonamide drugs: Structure, antibacterial property, toxicity, and biophysical interactions

A Ovung, J Bhattacharyya - Biophysical reviews, 2021 - Springer
Sulfonamide (or sulphonamide) functional group chemistry (SN) forms the basis of several
groups of drug. In vivo sulfonamides exhibit a range of pharmacological activities, such as …

Extension of the CHARMM general force field to sulfonyl‐containing compounds and its utility in biomolecular simulations

W Yu, X He, K Vanommeslaeghe… - Journal of …, 2012 - Wiley Online Library
Presented is an extension of the CHARMM General Force Field (CGenFF) to enable the
modeling of sulfonyl‐containing compounds. Model compounds containing chemical …

Carboxylic modified spherical mesoporous silicas аs drug delivery carriers

MD Popova, Á Szegedi, IN Kolev, J Mihály… - International journal of …, 2012 - Elsevier
The present study deals with the development and functionalization of mesoporous silica
nanoparticles as drug delivery platforms. Spherical MCM-41 and SBA-15 silicas with …

Using general computational chemistry strategy to unravel the reactivity of emerging pollutants: An example of sulfonamide chlorination

W Fu, GJ **a, Y Zhang, J Hu, YG Wang, J Li, X Li, B Li - Water Research, 2021 - Elsevier
Increasing number of emerging pollutants in environments requires an effective approach
which can facilitate the prediction of reactivity and provide insights into the reaction …

Silver-and sulfadiazine-loaded nanostructured silica materials as potential replacement of silver sulfadiazine

Á Szegedi, M Popova, K Yoncheva, J Makk… - Journal of Materials …, 2014 - pubs.rsc.org
Silver sulfadiazine (AgSD) is the leading topical antibacterial agent for the treatment of burn
wound infections. Antibacterial effect of AgSD is limited by its poor aqueous solubility, and …

[HTML][HTML] Computational studies on sulfonamide drug molecules by density functional theory

K Vibha, NC Prachalith, RA Reddy… - Chemical Physics …, 2023 - Elsevier
This paper reports the complete theoretical investigation of Sulfonamide drugs namely
Sulfadiazine (SDZ), Sulfamerazine (SMZ) and Sulfamethazine (SMZ) using the Density …

Crystal polymorphism and spectroscopical properties of sulfonamides in solid state by means of First Principles calculations

CI Sainz-Díaz, AP de la Luz… - Journal of Computer …, 2022 - Springer
Sulfonamides are an important class of therapeutic agents. The increase in the number of
new sulfonamide derivatives makes it necessary to study more rationally the chemical …

A simply visual and rapidly colorimetric detection of Hg2+ in cosmetics based on gold nanoparticles modified by sulfadiazine

XY Liu, ZL Zhao, TT Hao, X Li - Optical Materials, 2023 - Elsevier
Mercury is one of the most potentially toxic metals, which is much harmful to the human
health. Therefore, It is great important to detect mercury ions. In this work, proposed was a …

Experimental spectroscopic, quantum computational, hirshfeld surface, molecular docking, and electronic excitation studies on an antibiotic agent: SDZ

M Kumar, A Fatima, M Singh, I Verma… - Polycyclic Aromatic …, 2023 - Taylor & Francis
In this report sulfadiazine (SDZ) has been experimentally and quantum chemically
investigated. Computational analysis was carried out theoretically using the density …

Adsorption of sulfonamides on phyllosilicate surfaces by molecular modeling calculations

M Francisco-Marquez, C Soriano-Correa… - The Journal of …, 2017 - ACS Publications
Sulfamides belong to a great group of antibiotics used for decades for human therapeutics
and farm livestock. This intensive use has generated an important environmental risk due to …