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Rehmannia glutinosa polysaccharides: a review on structure-activity relationship and biological activity
Rehmannia glutinosa has been used historically and is now listed in the 2020 Chinese Pharmacopoeia as a traditional Chinese medicine for nourishing...
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Structure-activity relationship of pharmacophores and toxicophores: the need for clinical strategy
ObjectivesSometimes clinical efficacy and potential risk of therapeutic and toxic agents are difficult to predict over a long period of time. Hence...
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Antimicrobial activity of quaternary ammonium salts: structure-activity relationship
Compounds with antimicrobial activity have gained much attention in research due to the outbreak of coronavirus disease 2019 (COVID-19). Quaternary...
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Topological regression as an interpretable and efficient tool for quantitative structure-activity relationship modeling
Quantitative structure-activity relationship (QSAR) modeling is a powerful tool for drug discovery, yet the lack of interpretability of commonly used...
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A review: structure–activity relationship between saponins and cellular immunity
Saponins, which exhibit many different biological and pharmacological activities, are present in a wide range of plant species and in some marine...
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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,...
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Medicinal chemistry perspective of JAK inhibitors: synthesis, biological profile, selectivity, and structure activity relationship
JAK-STAT signalling pathway was discovered more than quarter century ago. The JAK-STAT pathway protein is considered as one of the crucial hubs for...
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Novel biologically active pyridine derivatives: Synthesis, structure characterization, in vitro antimicrobial evaluation and structure-activity relationship
The rate of microbial resistance has continued to rise significantly as the availability of new antibiotics has declined. A new series of pyridine...
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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...
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Hybrid 2D/3D-quantitative structure–activity relationship studies on the bioactivities and molecular mechanism of antibacterial peptides
Antimicrobial peptide (AMP) is the polypeptide, which protects the organism avoiding attack from pathogenic bacteria. Studies have shown that there...
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Mechanism-based structure-activity relationship investigation on hydrolysis kinetics of atmospheric organic nitrates
Organic nitrates are key components of atmospheric organic aerosols. Hydrolysis is one of their main transformation pathways, affecting atmospheric...
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The relationship between starch synthesis enzyme activity, gene expression, and amylopectin fine structure in waxy maize
Two waxy maize hybrids were selected to explore the relationship between amylopectin fine structure and gene expression of starch synthesis-related...
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Ginsenoside Rg5 as an anticancer drug: a comprehensive review on mechanisms, structure–activity relationship, and prospects for clinical advancement
Cancer remains one of the leading causes of death in the world. Despite the considerable success of conventional treatment strategies, the incidence...
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Structure–function relationship of the pituitary gland in anorexia nervosa and intense physical activity
Patients with Anorexia Nervosa (AN) and athletes share intense physical activity and pituitary hormonal disturbances related to absolute (AN) or...
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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...
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Theoretical simulation of the structure–activity relationship of polyimide dielectric constant and analysis of its linear regression model
In this paper, two calculation methods, quantum mechanics and molecular dynamics, are used to simulate the polyimides with 12 different molecular...
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Ceramicines U–Z from Chisocheton ceramicus and structure–antimalarial activity relationship study
Ceramicines are a series of limonoids which were isolated from the barks of Malaysian Chisocheton ceramicus (Meliaceae), and were known to show...
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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...
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Quantitative structure–activity relationship predicting toxicity of pesticides towards Daphnia magna
Global pesticide usage reaching 2.7 million metric tons annually, brings a grave threat to non-target organisms, especially aquatic organisms,...
