What is HBD and HBA?
Alcohol and phenol hydroxyls are common in drugs and are often involved in hydrogen bonding, the oxygen as a H-bond acceptor (HBA) and the hydrogen as hydrogen-bond donor (HBD).
What is meant by term drug likeness?
As defined earlier, “drug-likeness” assesses qualitatively the chance for a molecule to become an oral drug with respect to bioavailability. Drug-likeness was established from structural or physicochemical inspections of development compounds advanced enough to be considered oral drug-candidates.
What makes a drug-like molecule drug-like?
According to Walters and Murcko, drug-like compounds are molecule which contain functional groups and/or have physical properties consistent with the majority of known drugs, and hence can be inferred as compounds which might be active biologically or might show therapeutic potential [1,2].
What are the physical properties of a drug?
Physicochemical properties underlie all aspects of drug action and are critical for solubility, permeability and successful formulation. Specific physicochemical properties shown to be relevant to oral drugs are size, lipophilicity, ionisation, hydrogen bonding, polarity, aromaticity and shape.
What is clog P?
The logP value of a compound, which is the logarithm of its partition coefficient between n-octanol and water log(coctanol/cwater), is a well established measure of the compound’s hydrophilicity. Low hydrophilicities and therefore high logP values cause poor absorption or permeation.
What is HBA chemistry?
2-Hydroxybenzylalanine (HBA) and 2-hydroxybenzylaminomethylphosphonic acid (HBAMPA) are chelating ligands that have potential pharmaceutical applications. The molecules are analogues of each other: HBAMPA is a phosphonic acid, and HBA is the corresponding carboxylic acid with an additional methyl group.
What are the ADME properties?
ADME-Tox properties relate to the absorption, distribution, metabolism, excretion, and toxicity of a drug molecule. Traditionally, these properties were predicted at the end of the drug discovery pipeline; however, with the advancement of in-silico tools such properties can be predicted in the early phase.
What are drug like and lead like compounds?
Lead-like drugs In one lead-like definition, compounds have reduced property range dimensions compared to the drug. In another definition, lead-like discovery refers to the screening of small MWT libraries with detection of weak affinities in the high micromolar to millimolar range.
What are drug-like and lead like compounds?
What are ADME properties?
ADME-Tox properties relate to the absorption, distribution, metabolism, excretion, and toxicity of a drug molecule. Such drugs may show poor absorption, faster rate of metabolism and excretion, unfavorable distribution, and might be toxic in nature.
What are the chemical properties of drug?
Various Physico-Chemical Properties are, Solubility Partition Coefficient Dissociation constant Hydrogen Bonding Ionization of Drug Redox Potential Complexation Surface activity Protein binding Isosterism 1.
What are classifications of drugs?
7 Drug Categories
- (1) Central Nervous System (CNS) Depressants. CNS depressants slow down the operations of the brain and the body.
- (2) CNS Stimulants.
- (3) Hallucinogens.
- (4) Dissociative Anesthetics.
- (5) Narcotic Analgesics.
- (6) Inhalants.
- (7) Cannabis.
