Study on Quantitative Structure - Activity Relationship of Substituted - 2 - Phenylisothiazolinones Compounds [PDF]
Cailiao Baohu, 2022 Quantitative structure - activity relationship studies the relationship between molecular structure and antibacterial activity, which can provide a theoretical basis for predicting the molecular structure of new compounds, synthesizing and designing new ...
YANG Xing, YAN Ying, ZHOU Hao, WU Laiming, CAI Lankun
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Frontiers in Chemistry, 2021 Quinones and quinone-containing organics have potential of activating persulfate to produce sulfate radical. In this work, the optimal condition for quinone activation of persulfate was investigated.
Jiaqi Shi +6 more
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Calculation of Quantitative Structure-Activity Relationship Descriptors of Artemisinin Derivatives [PDF]
Mongolian Journal of Biological Sciences, 2008 Quantitative structure-activity relationships are based on the construction of predictive models using a set of known molecules and associated activity value.
Jambalsuren Bayarmaa, Vladimir Frecer
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Synthesis, Characterization, and Antifungal Evaluation of Thiolactomycin Derivatives
Engineering, 2020 5-Substituted benzylidene 3-acylthiotetronic acids are antifungal. A series of 3-acylthiotetronic acid derivatives with varying substitutions at the 5-position were designed, synthesized, and characterized, based on the binding pose of 3-acyl thiolactone
Pei Lv +5 more
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Data in Brief, 2017 Fragment based Quantitative structure activity relationship (QSAR) analysis on reported 25 2-(2-(4-aryloxybenzylidene) hydrazinyl) benzothiazole dataset as antitubercular agents were carried out.
Amit S. Tapkir +2 more
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Development and Evaluation of Conformal Prediction Methods for Quantitative Structure–Activity Relationship [PDF]
ACS OmegaYuting Xu +3 more
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Quantitative structure-activity relationships for biodegradation
Ecotoxicology and Environmental Safety, 1990 Quantitative structure-activity relationships (QSARs) between biodegradation rates of organic compounds and chemical structure parameters are reviewed. Although a number of such relationships have been developed, they in general only apply to restricted ranges of compounds, limiting their value as predictors of biodegradation rates.
J R, Parsons, H A, Govers
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Structure-Activity Relationship in NOD2 Agonistic Muramyl Dipeptides [PDF]
, 2023 Nucleotide-binding oligomerization domain 2 (NOD2) is a receptor of the innate immune system that is capable of perceiving bacterial and viral infections.
Aarzoo, Kamboj +3 more
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3D-QSAR study and pharmacophore development of novel antidepressants affecting serotonine transporters and histamine H3 receptors [PDF]
, 2015 Depresija je najčešći mentalni poremećaj koji pogađa oko 350 miliona ljudi širom sveta. Selektivni inhibitori preuzimanja serotonina (SSRIs- Selective Serotonine Reuptake Inhibitors) su lekovi izbora u lečenju depresije.
Nikolić, Katarina +2 more
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Quantitative Structure–Activity Relationship Modeling of Kinase Selectivity Profiles
Molecules, 2017 The discovery of selective inhibitors of biological target proteins is the primary goal of many drug discovery campaigns. However, this goal has proven elusive, especially for inhibitors targeting the well-conserved orthosteric adenosine triphosphate ...
Sandeepkumar Kothiwale +3 more
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