Molecular Structure
Sulfur Compounds
Volatile Organic Compounds
Structure-Activity Relationship
Plant Extracts
Concentrated pharmaceutical preparations of plants obtained by removing active constituents with a suitable solvent, which is evaporated away, and adjusting the residue to a prescribed standard.
Drug Evaluation, Preclinical
Magnetic Resonance Spectroscopy
Heterocyclic Compounds
Inhibitory Concentration 50
Biphenyl Compounds
Small Molecule Libraries
Organotin Compounds
Aniline Compounds
Aniline compounds, also known as aromatic amines, are organic chemicals derived from aniline (aminobenzene), characterized by the substitution of hydrogen atoms in the benzene ring with amino groups (-NH2).
Spiro Compounds
Chromatography, High Pressure Liquid
Stereoisomerism
Drug Design
The molecular designing of drugs for specific purposes (such as DNA-binding, enzyme inhibition, anti-cancer efficacy, etc.) based on knowledge of molecular properties such as activity of functional groups, molecular geometry, and electronic structure, and also on information cataloged on analogous molecules. Drug design is generally computer-assisted molecular modeling and does not include pharmacokinetics, dosage analysis, or drug administration analysis.
Dose-Response Relationship, Drug
Nitroso Compounds
Organometallic Compounds
Organoselenium Compounds
Drug Screening Assays, Antitumor
Organophosphorus Compounds
Azo Compounds
Gas Chromatography-Mass Spectrometry
A microanalytical technique combining mass spectrometry and gas chromatography for the qualitative as well as quantitative determinations of compounds.
Epoxy Compounds
Volatilization
High-Throughput Screening Assays
Quaternary Ammonium Compounds
p-Methoxy-N-methylphenethylamine
Hydrocarbons, Aromatic
Enzyme Inhibitors
Mass Spectrometry
Benzyl Compounds
Organic Chemicals
Terphenyl Compounds
Cell Line, Tumor
A cell line derived from cultured tumor cells.
Triterpenes
Furans
Oxidation-Reduction
A chemical reaction in which an electron is transferred from one molecule to another. The electron-donating molecule is the reducing agent or reductant; the electron-accepting molecule is the oxidizing agent or oxidant. Reducing and oxidizing agents function as conjugate reductant-oxidant pairs or redox pairs (Lehninger, Principles of Biochemistry, 1982, p471).
Allyl Compounds
'Allyl compounds' are organic substances that contain the allyl group (CH2=CH-CH2-) as a functional component, which can be found in various forms such as allyl alcohol, allyl chloride, and allyl esters.
Models, Molecular
Spectrophotometry, Ultraviolet
Glycosides
Any compound that contains a constituent sugar, in which the hydroxyl group attached to the first carbon is substituted by an alcoholic, phenolic, or other group. They are named specifically for the sugar contained, such as glucoside (glucose), pentoside (pentose), fructoside (fructose), etc. Upon hydrolysis, a sugar and nonsugar component (aglycone) are formed. (From Dorland, 28th ed; From Miall's Dictionary of Chemistry, 5th ed)
Heterocyclic Compounds, 2-Ring
Picrates
Picrates are salts of picric acid, an explosive organic compound previously used as a yellow dye and antiseptic, which are now primarily used in chemical research and industrial applications. Please note that picrates should be handled with care due to their potential explosiveness when heated or subjected to friction.
Spectrophotometry, Infrared
Plants, Medicinal
Anti-Bacterial Agents
Substances that reduce the growth or reproduction of BACTERIA.
Quantitative Structure-Activity Relationship
Indicators and Reagents
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
Biotransformation
The chemical alteration of an exogenous substance by or in a biological system. The alteration may inactivate the compound or it may result in the production of an active metabolite of an inactive parent compound. The alterations may be divided into METABOLIC DETOXICATION, PHASE I and METABOLIC DETOXICATION, PHASE II.
Molecular Sequence Data
Descriptions of specific amino acid, carbohydrate, or nucleotide sequences which have appeared in the published literature and/or are deposited in and maintained by databanks such as GENBANK, European Molecular Biology Laboratory (EMBL), National Biomedical Research Foundation (NBRF), or other sequence repositories.
Flavonoids
A group of phenyl benzopyrans named for having structures like FLAVONES.
Bicyclo Compounds
'Bicyclo compounds' in medicinal chemistry refer to organic molecules containing two fused rings, where each ring shares two common atoms, creating a topological structure that resembles two overlapping circles or bicycle tires.
Biodegradation, Environmental
Elimination of ENVIRONMENTAL POLLUTANTS; PESTICIDES and other waste using living organisms, usually involving intervention of environmental or sanitation engineers.
Chromatography, Thin Layer
Microbial Sensitivity Tests
Sesquiterpenes
Sesquiterpenes are a class of terpenes consisting of three isoprene units, forming a 15-carbon skeleton, which can be found in various plant essential oils and are known for their diverse chemical structures and biological activities, including anti-inflammatory, antimicrobial, and cytotoxic properties.
Biological Products
Bridged Compounds
Cyclic hydrocarbons that contain multiple rings and share one or more atoms.
Heterocyclic Compounds with 4 or More Rings
Ketones
Cell Survival
Chemistry
Pharmaceutical Preparations
Combinatorial Chemistry Techniques
Thiazoles
Hydrogen-Ion Concentration
Bacteria
One of the three domains of life (the others being Eukarya and ARCHAEA), also called Eubacteria. They are unicellular prokaryotic microorganisms which generally possess rigid cell walls, multiply by cell division, and exhibit three principal forms: round or coccal, rodlike or bacillary, and spiral or spirochetal. Bacteria can be classified by their response to OXYGEN: aerobic, anaerobic, or facultatively anaerobic; by the mode by which they obtain their energy: chemotrophy (via chemical reaction) or PHOTOTROPHY (via light reaction); for chemotrophs by their source of chemical energy: CHEMOLITHOTROPHY (from inorganic compounds) or chemoorganotrophy (from organic compounds); and by their source for CARBON; NITROGEN; etc.; HETEROTROPHY (from organic sources) or AUTOTROPHY (from CARBON DIOXIDE). They can also be classified by whether or not they stain (based on the structure of their CELL WALLS) with CRYSTAL VIOLET dye: gram-negative or gram-positive.
Antioxidants
Chemical Phenomena
Indoles
Glucosides
Glucosides are glycosides that contain glucose as the sugar component, often forming part of the plant's defense mechanism and can have various pharmacological effects when extracted and used medically.
Benzene Derivatives
'Benzene derivatives' are organic compounds that contain a benzene ring as the core structure, with various functional groups attached to it, and can have diverse chemical properties and uses, including as solvents, intermediates in chemical synthesis, and pharmaceuticals.
Spectrometry, Mass, Electrospray Ionization
A mass spectrometry technique used for analysis of nonvolatile compounds such as proteins and macromolecules. The technique involves preparing electrically charged droplets from analyte molecules dissolved in solvent. The electrically charged droplets enter a vacuum chamber where the solvent is evaporated. Evaporation of solvent reduces the droplet size, thereby increasing the coulombic repulsion within the droplet. As the charged droplets get smaller, the excess charge within them causes them to disintegrate and release analyte molecules. The volatilized analyte molecules are then analyzed by mass spectrometry.
Binding Sites
Monoterpenes
Compounds with a core of 10 carbons generally formed via the mevalonate pathway from the combination of 3,3-dimethylallyl pyrophosphate and isopentenyl pyrophosphate. They are cyclized and oxidized in a variety of ways. Due to the low molecular weight many of them exist in the form of essential oils (OILS, VOLATILE).
Ligands
A molecule that binds to another molecule, used especially to refer to a small molecule that binds specifically to a larger molecule, e.g., an antigen binding to an antibody, a hormone or neurotransmitter binding to a receptor, or a substrate or allosteric effector binding to an enzyme. Ligands are also molecules that donate or accept a pair of electrons to form a coordinate covalent bond with the central metal atom of a coordination complex. (From Dorland, 27th ed)
Mutation
Plant Leaves
Models, Chemical
Benzhydryl Compounds
Chromatography, Gas
Fractionation of a vaporized sample as a consequence of partition between a mobile gaseous phase and a stationary phase held in a column. Two types are gas-solid chromatography, where the fixed phase is a solid, and gas-liquid, in which the stationary phase is a nonvolatile liquid supported on an inert solid matrix.
Cells, Cultured
Coumarins
Amines
Protein Binding
Substrate Specificity
Carboxylic Acids
Organic compounds containing the carboxy group (-COOH). This group of compounds includes amino acids and fatty acids. Carboxylic acids can be saturated, unsaturated, or aromatic.
Drugs, Chinese Herbal
Chinese herbal or plant extracts which are used as drugs to treat diseases or promote general well-being. The concept does not include synthesized compounds manufactured in China.
Hydrocarbons, Halogenated
Halogenated hydrocarbons refer to organic compounds containing carbon and hydrogen atoms, where one or more hydrogen atoms are replaced by halogens such as fluorine, chlorine, bromine, or iodine.
Fungi
A kingdom of eukaryotic, heterotrophic organisms that live parasitically as saprobes, including MUSHROOMS; YEASTS; smuts, molds, etc. They reproduce either sexually or asexually, and have life cycles that range from simple to complex. Filamentous fungi, commonly known as molds, refer to those that grow as multicellular colonies.
Ethers
Biological Assay
A method of measuring the effects of a biologically active substance using an intermediate in vivo or in vitro tissue or cell model under controlled conditions. It includes virulence studies in animal fetuses in utero, mouse convulsion bioassay of insulin, quantitation of tumor-initiator systems in mouse skin, calculation of potentiating effects of a hormonal factor in an isolated strip of contracting stomach muscle, etc.
Antiviral Agents
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Boron Compounds
Spectrometry, Mass, Fast Atom Bombardment
A mass spectrometric technique that is used for the analysis of a wide range of biomolecules, such as glycoalkaloids, glycoproteins, polysaccharides, and peptides. Positive and negative fast atom bombardment spectra are recorded on a mass spectrometer fitted with an atom gun with xenon as the customary beam. The mass spectra obtained contain molecular weight recognition as well as sequence information.
Hydroxybenzoates
Oils, Volatile
Oils which evaporate readily. The volatile oils occur in aromatic plants, to which they give odor and other characteristics. Most volatile oils consist of a mixture of two or more TERPENES or of a mixture of an eleoptene (the more volatile constituent of a volatile oil) with a stearopten (the more solid constituent). The synonym essential oils refers to the essence of a plant, as its perfume or scent, and not to its indispensability.
Rats, Sprague-Dawley
Esters
Sulfonium Compounds
Benzoates
Derivatives of BENZOIC ACID. Included under this heading are a broad variety of acid forms, salts, esters, and amides that contain the carboxybenzene structure.
Heterocyclic Compounds, 3-Ring
Organothiophosphorus Compounds
Antifungal Agents
Hydrocarbons, Chlorinated
Liver
Hydrocarbons, Fluorinated
Fluorinated hydrocarbons are organic compounds consisting primarily of carbon and fluorine atoms, where hydrogen atoms may also be present, known for their high stability, chemical resistance, and various industrial applications, including refrigerants, fire extinguishing agents, and electrical insulation materials.
Pyridinium Compounds
Methanol
A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.
Hydrocarbons
Hydrocarbons are organic compounds consisting entirely of hydrogen and carbon atoms, forming the basis of classes such as alkanes, alkenes, alkynes, and aromatic hydrocarbons, which play a vital role in energy production and chemical synthesis.
Polyphenols
A large class of organic compounds having more than one PHENOL group.
Lactones
Cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure. Large cyclic lactones of over a dozen atoms are MACROLIDES.
Sulfides
Compound Eye, Arthropod
Molecular Docking Simulation
Free Radical Scavengers
Cinnamates
Cinnamates are organic compounds that contain a cinnamic acid moiety, widely used in pharmaceutical and cosmetic industries as esters, with various applications ranging from UV absorbers to local anesthetics and antimicrobial agents.
Pyrans
'Pyrans' are heterocyclic organic compounds containing a six-membered ring with one oxygen atom and five carbon atoms, which can be found in various natural substances and synthesized compounds, and may have potential applications in medicinal chemistry.
Pyridines
Rats, Wistar
Vinyl Compounds
Vinyl compounds, in the context of medical materials, refer to synthetic polymers made from vinyl chloride or vinyl acetate monomers, which are used in the production of various medical devices and supplies such as blood bags, intravenous (IV) bags, tubing, and gloves due to their flexibility, transparency, and resistance to chemicals and heat.
Crystallography, X-Ray
Escherichia coli
A species of gram-negative, facultatively anaerobic, rod-shaped bacteria (GRAM-NEGATIVE FACULTATIVELY ANAEROBIC RODS) commonly found in the lower part of the intestine of warm-blooded animals. It is usually nonpathogenic, but some strains are known to produce DIARRHEA and pyogenic infections. Pathogenic strains (virotypes) are classified by their specific pathogenic mechanisms such as toxins (ENTEROTOXIGENIC ESCHERICHIA COLI), etc.
Amino Acid Sequence
Alcohols
Parasitic Sensitivity Tests
Fermentation
Anaerobic degradation of GLUCOSE or other organic nutrients to gain energy in the form of ATP. End products vary depending on organisms, substrates, and enzymatic pathways. Common fermentation products include ETHANOL and LACTIC ACID.
Acetates
Derivatives of ACETIC ACID. Included under this heading are a broad variety of acid forms, salts, esters, and amides that contain the carboxymethane structure.
Apoptosis
One of the mechanisms by which CELL DEATH occurs (compare with NECROSIS and AUTOPHAGOCYTOSIS). Apoptosis is the mechanism responsible for the physiological deletion of cells and appears to be intrinsically programmed. It is characterized by distinctive morphologic changes in the nucleus and cytoplasm, chromatin cleavage at regularly spaced sites, and the endonucleolytic cleavage of genomic DNA; (DNA FRAGMENTATION); at internucleosomal sites. This mode of cell death serves as a balance to mitosis in regulating the size of animal tissues and in mediating pathologic processes associated with tumor growth.
Alkaloids
Organic nitrogenous bases. Many alkaloids of medical importance occur in the animal and vegetable kingdoms, and some have been synthesized. (Grant & Hackh's Chemical Dictionary, 5th ed)
Solvents
Mutagens
Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.
Porifera
The phylum of sponges which are sessile, suspension-feeding, multicellular animals that utilize flagellated cells called choanocytes to circulate water. Most are hermaphroditic. They are probably an early evolutionary side branch that gave rise to no other group of animals. Except for about 150 freshwater species, sponges are marine animals. They are a source of ALKALOIDS; STEROLS; and other complex molecules useful in medicine and biological research.
Trypanocidal Agents
Imidazoles
Compounds containing 1,3-diazole, a five membered aromatic ring containing two nitrogen atoms separated by one of the carbons. Chemically reduced ones include IMIDAZOLINES and IMIDAZOLIDINES. Distinguish from 1,2-diazole (PYRAZOLES).
Chalcones
Compounds based on CHALCONE. They are important intermediates in the formation of FLAVONOIDS.
Quinolines
Spectrophotometry
Naphthoquinones
Mutagenicity Tests
Plant Roots
Chlorogenic Acid
Xenobiotics
Chemical substances that are foreign to the biological system. They include naturally occurring compounds, drugs, environmental agents, carcinogens, insecticides, etc.
Binding, Competitive
The interaction of two or more substrates or ligands with the same binding site. The displacement of one by the other is used in quantitative and selective affinity measurements.
Spectrum Analysis
Organogold Compounds
Benzaldehydes
Streptomyces
A genus of bacteria that form a nonfragmented aerial mycelium. Many species have been identified with some being pathogenic. This genus is responsible for producing a majority of the ANTI-BACTERIAL AGENTS of practical value.
Bicyclo Compounds, Heterocyclic
A class of saturated compounds consisting of two rings only, having two or more atoms in common, containing at least one hetero atom, and that take the name of an open chain hydrocarbon containing the same total number of atoms. (From Riguady et al., Nomenclature of Organic Chemistry, 1979, p31)
Anthraquinones
Compounds based on ANTHRACENES which contain two KETONES in any position. Substitutions can be in any position except on the ketone groups.
Environmental Pollutants
Lethal Dose 50
Peroxidases
Rhizome
Toxicity Tests
An array of tests used to determine the toxicity of a substance to living systems. These include tests on clinical drugs, foods, and environmental pollutants.
Water Pollutants, Chemical
Anti-Infective Agents
Pyrazoles
Azoles of two nitrogens at the 1,2 positions, next to each other, in contrast with IMIDAZOLES in which they are at the 1,3 positions.
Antineoplastic Agents, Phytogenic
Carcinogens
Alkanes
The generic name for the group of aliphatic hydrocarbons Cn-H2n+2. They are denoted by the suffix -ane. (Grant & Hackh's Chemical Dictionary, 5th ed)