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Lipinski's rule of five, also known as Pfizer's rule of five or simply the rule of five (RO5), is a rule of thumb to evaluate druglikeness or determine if a chemical compound with a certain pharmacological or biological activity has chemical properties and physical properties that would likely make it an orally active drug in humans.
physical properties "PoLyInfo". 26,000 PPDB Pesticide Properties Database Agriculture & Environment Research Unit, University of Hertfordshire: Pesticides and their metabolites Chemical structure, physicochemical properties, human health and ecotoxicological data curated "PPDB". 2000 [10] Probes and Drugs ProCarDB
Pharmacognosy is the study of crude drugs obtained from medicinal plants, animals, fungi, and other natural sources. [1] The American Society of Pharmacognosy defines pharmacognosy as "the study of the physical, chemical, biochemical , and biological properties of drugs, drug substances, or potential drugs or drug substances of natural origin ...
Pharmacokinetics is the movement of the drug in the body, it is usually described as 'what the body does to the drug' the physico-chemical properties of a drug will affect the rate and extent of absorption, extent of distribution, metabolism and elimination.
Druglikeness is a qualitative concept used in drug design for how "druglike" a substance is with respect to factors like bioavailability. It is estimated from the molecular structure before the substance is even synthesized and tested. A druglike molecule has properties such as:
Topics of pharmacodynamics. Pharmacodynamics (PD) is the study of the biochemical and physiologic effects of drugs (especially pharmaceutical drugs).The effects can include those manifested within animals (including humans), microorganisms, or combinations of organisms (for example, infection).
In QSAR modeling, the predictors consist of physico-chemical properties or theoretical molecular descriptors [1] [2] of chemicals; the QSAR response-variable could be a biological activity of the chemicals. QSAR models first summarize a supposed relationship between chemical structures and biological activity in a data-set of chemicals
It also includes the study of existing drugs, their biological properties, and their quantitative structure-activity relationships (QSAR). [1] [2] Medicinal chemistry is a highly interdisciplinary science combining organic chemistry with biochemistry, computational chemistry, pharmacology, molecular biology, statistics, and physical chemistry.