Results 71 to 80 of about 1,444,758 (235)
Scientific Reports, 2021 With the progressive and ever-increasing antibacterial resistance pathway, the need for novel antibiotic design becomes critical. Sulfonamides are one of the more effective antibiotics against bacteria.
Sheida Nasr Esfahani +5 more
doaj +1 more source
Synthesis and Antifungal Activities of Perillyl Alcohol Based 1,3,4‐Thiadiazole‐Thioether Compounds
Chemistry &Biodiversity, Volume 23, Issue 9, September 2026.A series of perillyl alcohol‐derived 1,3,4‐thiadiazole‐thioether compounds were designed, synthesized, and evaluated for their antifungal activities. Compound V15 was identified as the most potent derivative, demonstrating superior efficacy against G.
Yanlin Xiong +6 more
wiley +1 more source
GIFI-PLS: Modeling of Non-Linearities and Discontinuities in QSAR
, 2000 This paper introduces to the QSAR community a novel method for modeling and understanding non-linear relationships between biological potency and chemical structure properties of molecules.
Lindgren, Fredrik +3 more
core +1 more source
Chemistry &Biodiversity, Volume 23, Issue 9, September 2026.In vitro anti‐inflammatory activity of sour cherry (Prunus cerasus L.) seed oil and computational safety profiling. ABSTRACT This study aimed to evaluate the in vitro anti‐inflammatory activity of sour cherry seed oils, including samples obtained by Soxhlet extraction and maceration, as well as ten commercial samples.
Tuğba Aydin +4 more
wiley +1 more source
Conservatoire des Données 3D SHS
, 2020 ” Le Conservatoire National des Données 3D SHS est un environnement de sauvegarde sécurisé pour les données 3D, soutenu par Huma-Num.. …
Consortium 3D SHS Team
core
Journal of Tropical Pharmacy and Chemistry, 2014 The Quantitatif Structure-Activity Relationship (QSAR) study has been established on 13 Carbazole analog compounds to their antibacterial activity using electronical descriptors. The development of computational chemistry, in particular quantum chemical
Islamudin Ahmad
doaj +1 more source
Intelligent design of artificial biocatalyst for biomedical diseases
Journal of Intelligent Medicine, Volume 3, Issue 3, Page 220-249, September 2026.This review summarizes recent advances in the intelligent design of artificial biocatalysts for biomedical diseases. By leveraging tailored design strategies, including environment‐responsive engineering and rational/artificial intelligence‐aided optimization, these biocatalysts enable precise modulation of pathological microenvironments and targeted ...
Lijie Zhang +3 more
wiley +1 more source
A 3D-QSAR Study of Catechol-O-
, 2007 AIM Inhibitors of Catechol-O-methyltransferase (COMT) play an important role in the treatment of Parkinson Disease (PD). A new three-dimensional quantitative structure-activity relationship (3D QSAR) analysis was performed to correlate the molecular ...
艾纯芝, 杨凌
core
3D-QSAR CoMFA Study on Aminothiazole Derivatives as Cyclin-Dependent Kinase 2 Inhibitors
, 2007 Cyclin Dependent Kinases (CDKs) have come out as attractive targets in drug discovery programs over the years with lots of therapeutic potentials for inhibitors of these enzymes.
Dessalew, Nigus +2 more
core +1 more source
, 2023 Quantitative Structure-Activity Relationship (QSAR) is a computer-aided technology in the field of medicinal chemistry that seeks to clarify the relationships between molecular structures and their biological activities.
Jéssika de Oliveira Viana (5960501) +2 more
core +1 more source