A computational quantitative structure-activity relationship study of carbamate anticonvulsants using quantum pharmacological methods
نویسندگان
چکیده
منابع مشابه
A computational quantitative structure-activity relationship study of carbamate anticonvulsants using quantum pharmacological methods
A pattern recognition quantitative structure-activity relationship (QSAR) study has been performed to determine the molecular features of carbamate anticonvulsants which influence biological activity. Although carbamates, such as felbamate, have been used to treat epilepsy, their mechanisms of efficacy and toxicity are not completely understood. Quantum and classical mechanics calculations have...
متن کاملQuantitative Structure-Property Relationship to Predict Quantum Properties of Monocarboxylic Acids By using Topological Indices
Abstract. Topological indices are the numerical value associated with chemical constitution purporting for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. Graph theory is a delightful playground for the exploration of proof techniques in Discrete Mathematics and its results have applications in many areas of sciences. A graph is a ...
متن کاملQuantitative structure activity relationship study of inhibitory activities of 5-lipoxygenase and design new compounds by different chemometrics methods
A quantitative structure-activity relationship (QSAR) study was conducted for the prediction of inhibitory activity of 1-phenyl[2H]-tetrahydro-triazine-3-one analogues as inhibitors of 5-Lipoxygenase. The inhibitory activities of the 1-phenyl[2H]-tetrahydro-triazine-3-one analogues modeled as a function of molecular structures using chemometrics methods such as multiple linear regression (MLR) ...
متن کاملA Review on Computational Methods in Developing Quantitative Structure-Activity Relationship (QSAR)
Virtual filtering and screening of combinatorial libraries have recently gained attention as methods complementing the high-throughput screening and combinatorial chemistry. These chemoinformatic techniques rely heavily on quantitative structure-activity relationship (QSAR) analysis, a field with established methodology and successful history. In this review, we discuss the computational method...
متن کاملComputational Methods for Structure-Activity Relationship Analysis and Activity Prediction
Structure-activity relationship (SAR) analysis of small bioactive compounds is a key task in medicinal chemistry. Traditionally, SARs were established on a case-by-case basis. However, with the arrival of high-throughput screening (HTS) and synthesis techniques, a surge in the size and structural heterogeneity of compound data is seen and the use of computational methods to analyse SARs has bec...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Seizure
سال: 1998
ISSN: 1059-1311
DOI: 10.1016/s1059-1311(05)80001-9