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The purpose of BindingDB is to support medicinal chemistry and drug discovery via literature awareness and development of structure-activity relations (SAR and QSAR); validation of computational chemistry and molecular modelling approaches such as docking, scoring and free energy methods; chemical biology and chemical genomics; and basic ...
Chemistry portal; Medicine portal; MedChemComm (in full: Medicinal Chemistry Communications) is a peer-reviewed scientific journal publishing original (primary) research and review articles on all aspects of medicinal chemistry, including drug discovery, pharmacology and pharmaceutical chemistry.
MMP can be defined as a pair of molecules that differ in only a minor single point change (See Fig 1). Matched molecular pairs (MMPs) are widely used in medicinal chemistry to study changes in compound properties which includes biological activity, toxicity, environmental hazards and much more, which are associated with well-defined structural modifications.
Diagram depicting a representative pan-assay interference compound. The drug-like molecule specifically interacts with target B, but the PAINS-like compound non-specifically interacts with multiple targets. Pan-assay interference compounds (PAINS) are chemical compounds that often give false positive results in high-throughput screens. [1]
Despite the rise of combinatorial chemistry as an integral part of lead discovery process, natural products still play a major role as starting material for drug discovery. [55] A 2007 report [ 56 ] found that of the 974 small molecule new chemical entities developed between 1981 and 2006, 63% were natural derived or semisynthetic derivatives ...
The Journal of Medicinal Chemistry is a biweekly peer-reviewed medical journal covering research in medicinal chemistry. It is published by the American Chemical Society . It was established in 1959 as the Journal of Medicinal and Pharmaceutical Chemistry and obtained its current name in 1963. [ 1 ]
Future Medicinal Chemistry is a peer-reviewed medical journal covering all aspects of medicinal chemistry, including drug discovery, pharmacology, in silico drug design, structural characterization techniques, ADME-Tox investigations, and science policy, economic and intellectual property issues. It was established in 2009 and is published by ...
Molecular Operating Environment (MOE) is a drug discovery software platform that integrates visualization, modeling and simulations, as well as methodology development, in one package. MOE scientific applications are used by biologists, medicinal chemists and computational chemists in pharmaceutical, biotechnology and academic research.