Search
Search Results
-
Hydrazone analogs as DNA gyrase inhibitors and antioxidant agents: Structure-activity relationship and pharmacophore modeling
In this paper, we report the synthesis and the structure–activity relationship study of three hydrazone analogs; the Schiff base hydrazone SBH and 2,...
-
Chemoenzymatic approaches for exploring structure–activity relationship studies of bioactive natural products
Spurred by advancements in microbial genetics and enzyme engineering, chemoenzymatic strategies, which combine enzymatic and synthetic...
-
Chirality descriptors for structure–activity relationship modeling of bioactive molecules
Owing to the homochirality among the α-amino acids, the building blocks, chiral environmental prevails within the structure of biological...
-
Sojourn of Nitrogenous Heterocycles as Promising Antileishmanial Agents: Medicinal Perspectives and Structure–Activity Relationship Studies
Leishmania is a protozoal parasitic disease enlisted in neglected disease by World Health Organization (WHO) and caused by different leishmanial...
-
Total synthesis and structure–activity relationship of alternaric acid delivers an herbicide vector
Global food security is one of the foremost challenges of our time and requires a multifaceted solution. Crop protection strategies are an essential...
-
Theoretical Study on Methylated Resveratrol Analogues towards the Antioxidant Activity and Mechanisms: Understanding the Structure–Activity Relationship
AbstractTheoretically, the antioxidant properties of substances are usually evaluated by three working mechanisms, including H-atom transfer (HAT),...
-
Calcium supplements and structure–activity relationship of peptide-calcium chelates: a review
In recent years, the functional properties of peptides derived from food proteins have attracted considerable interest. Among them, bioactive...
-
Synthetic Approaches, Biological Activities, and Structure–Activity Relationship of Pyrazolines and Related Derivatives
It has been established that pyrazolines and their analogs are pharmacologically active scaffolds. The pyrazoline moiety is present in several...
-
Unraveling the Structure-Activity Relationship of CeO2 Catalysts in the Low-Temperature Combustion of Polymer Wastes
Unraveling the structure-activity relationship of CeO 2 catalysts in the low-temperature combustion is beneficial to the clean incineration of polymer...
-
Ligand-based approaches to activity prediction for the early stage of structure–activity–relationship progression
The retrospective evaluation of virtual screening approaches and activity prediction models are important for methodological development. However,...
-
Synthesis and study of the structure—antitumor activity relationship of new pyridoxine-containing structural analogs of saccharumoside-B
We synthesized a number of new derivatives of phenolic glycoside saccharumoside-B based on pyridoxine and 3-hydroxy-2-methylpyridine and studied...
-
Relationship between the Structure of Fluorine-Containing Phenoxy-Imine Complexes, Their Spectral Properties and Activity in Ethylene Polymerization
AbstractThis paper describes a series of novel post-metallocene titanium complexes catalyzing ethylene polymerization. Five titanium complexes...
-
Structural Optimization, Fungicidal Activities Evaluation and Structure-activity Relationship of Guanidine Derivatives from Buthus martensii Karsch
AbstractA guanidine compound was isolated and identified from Buthus martensii Karsch. Based on its characteristic structure, we used it as a lead...
-
In Silico and In Vitro Studies of Naturally Occurring Tyrosinase Inhibitors: Structure–Activity Relationship
Besides being used in the treatment of melanin hyperpigmentation, inhibition of tyrosinase (TYR) is a promising approach to prevent economic losses....
-
Web-Based Quantitative Structure–Activity Relationship Resources Facilitate Effective Drug Discovery
Traditional drug discovery effectively contributes to the treatment of many diseases but is limited by high costs and long cycles. Quantitative...
-
Structure-aromaticity-spectroscopy relationship in conjugated polymers
In this study, an effort has been made to analyze the aromaticity of oligomers of phenylenes and thiophenes, with the presence and absence of linkers...
-
Comparative DNA binding ability and phosphatase-like activity of mono and dinuclear Ni (II) complexes: a structure-activity correlation
Two Ni(II) complexes [(Ni L1)(CH 3 COO) (H 2 O) 2 ](1) and [{(NiL2) (CH3COO)} 2 (µ-H 2 O)] (2) having different coordination environments around metal centres...
-
A B3LYP/DFT Study on the Structure Activity Relationship for Benzimidazole Derivatives in Water Solution
AbstractIn this article, a theoretical chemical study on 41 benzimidazole derivatives compounds used to treat osteoporosis was performed in water...
-
Iron-Ruthenium Catalysts for Ammonia Synthesis: the Relationship of Structure and Function
AbstractThe interrelation of the structure and catalytic properties of hydrogen-reduced iron-ruthenium systems in the ammonia synthesis reaction is...
-
Heterocycle-substituted 1,5-benzothiazepines: biological properties and structure–activity relationships
1,5-Benzothiazepines represent key scaffolds in medicinal chemistry because of their applicability in a wide variety of pharmaceuticals. Many...
