Results 241 to 250 of about 1,617,247 (300)

Role of Histidine‐Containing Peptoids in Accelerating the Kinetics of Calcite Growth

Advanced Functional Materials, EarlyView.
Amphiphilic histidine‐containing peptoids mimic carbonic anhydrase (CA) to accelerate calcite step growth. In the presence of Zn2+, they promote the deprotonation of HCO3−, the desolvation of Ca2+, and the reorganization of interfacial hydration layers, thereby reducing the activation barrier for calcite growth.
Mingyi Zhang, Ying Chen, Chenyang Shi, Progyateg Chakma, James J. De Yoreo, Chun‐Long Chen   +5 more
wiley   +1 more source

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Quantitative structure-activity relationships

1979
Designing of biologically active molecules on a rational basis is of utmost importance to medicinal chemists. Until about the late 1950’s most of the structure-activity correlations were emperical and qualitative. Although attempts have been made to apply quantitative methods to biological activity since last century, a major effort in this field has ...
A K, Saxena, S, Ram
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Ecotoxicological Quantitative Structure–Activity Relationships for Pharmaceuticals

Bulletin of Environmental Contamination and Toxicology, 2007
This paper examined active pharmaceutical ingredients (APIs) acute ecotoxicological modes of action (MOA). It was concluded that the vast majority of APIs acute MOA was non-specific narcosis as; 85% out of 59 APIs had an excess toxicity ratio
Sanderson, H., Thomsen, M.
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Quantitative Structure-Activity Relationships and Carminative Activity

Journal of Pharmaceutical Sciences, 1978
Carminative activities of 34 alcohols, esters, ethers, phenols, and carbonyl compounds were determined using the guinea pig isolated ileum preparation and are expressed as the ability to produce a 50% inhibition (ID50) of a standard response to carbachol. Aqueous solubilities were measured at 37 degrees using either UV absorption or GLC.
B K, Evans, K C, James, D K, Luscombe
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Quantitative structure—activity relationships (QSAR)

Chemometrics and Intelligent Laboratory Systems, 1989
Abstract Dunn III, W.J., 1989. Quantitative structure-activity relationships (QSAR). Chemometrics and Intelligent Laboratory Systems , 6: 181–190. Drug design has been influenced considerably since the first quantitative structure-activity relationship (QSAR) study was published by Hansch and his coworkers in 1962.
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Quantitative structure–activity relationships (QSAR)

2023
This chapter analyzes quantitative structure-activity relationships (QSARs), which is considered a well-established tool in medicinal chemistry. It details how QSAR attempts to relate the physicochemical properties of compounds to their biological activity in a quantitative fashion by using equations.
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Quantitative Structure Activity Relationships in Drug Metabolism

Current Topics in Medicinal Chemistry, 2006
This review of 61 references delineates contemporary computation quantitative structure activity relationship (QSAR) approaches that have been used to elucidate the molecular features that influence the binding and metabolism of a compound by the major phase 1 and phase 2 metabolising enzymes; Cytochrome P450 (CYP) and UDP-glucuronosyltransferase (UGT),
Kamaldeep K, Chohan, Stuart W, Paine, Nigel J, Waters   +2 more
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Sorption and Quantitative Structure-Activity Relationship (QSAR)

2014
The sorption of pesticides to soils or sediments is the major factor determining their mobility, transport and bioavailability in terrestrial and aquatic environments. The organic matter is the primary sorption domain in soils or sediments and sorption is considered to be primarily a partitioning process between soil organic matter and the surrounding ...
Aleksandar Sabljic, Yoshiaki Nakagawa
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Quantitative Structure-Activity Relationships of Antiarrhythmic Drugs

Current Pharmaceutical Design, 1998
Abstract: A Comprehensive review of quantitative structure-activity relationship (QSAR) studies on antiarrhythmic agents is presented. From the discussion point of view, the antiarrhythmic agents have been put into two broad classes: specific and nonspecific.
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Quantitative Structure Activity Relationships (QSAR)

1995
The development of new effective chemical substances, such as new drugs, herbicides or insecticides, is essential for the survival of an agro-chemical and pharmaceutical industry. The process of finding biologically active compounds is very research-intensive and time consuming, illustrated by the fact that typically only about 1 of 10’000 synthesized ...
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