Physicochemical properties, drugs

M.C. Wenlock, and R.J. Riley (2002). The influence of nonspecific microsomal binding on apparent intrinsic clearance, and its prediction from physicochemical properties. Drug Metab. Dispos. 30, 1497-1503. 

Mura P, Faucci MT, Parrini PL, Effects of grinding with microcrystalline cellulose and cyclodextrin on ketoprofen physicochemical properties. Drug Dev. Ind. Pharm 2001 27 119-128. 

Cyclodextrin-linked CS Reductive amination using formylmethylene, crosslinking by glutaraldehyde and so on Form non-covalent inclusion complexes with a number of molecules altering their physicochemical properties Drug delivery... 

Turner DB, Rostami-Hodjegan A, Tucker GT, Yeo KR. 2007. Prediction of nonspecific hepatic microsomal binding from readily available physicochemical properties. Drug Metab Rev 38(S1) 162. 

Luo G, Johnson S, Hsueh MM, Zheng J, Cai H, Xin B, Chong S, He K, Harper T. In silico prediction of biliary excretion of drugs in rats based on physicochemical properties. Drug Metab Dispos. 2010 38 422-430. 

S. Das, W. Kiong Ng, R.B.H. Tan, Sucrose ester stabilized solid lipid nanoparticles and nanostructured lipid carriers I. Effect of formulation variables on the physicochemical properties, drug release and stability of clotrimazole-loaded nanoparticles. Nanotechnology 25 (2014) 105101 -105115. 

Lead structure According to Valler and Green s definition a lead structure is a representative of a compound series with sufficient potential (as measured by potency, selectivity, pharmacokinetics, physicochemical properties, absence of toxicity and novelty) to progress to a full drug development program [12]. 

Prediction of various physicochemical properties such as solubihty, lipophhicity log P, pfQ, number of H-donor and acceptor atoms, number of rotatable bonds, polar surface area), drug-likeness, lead-likeness, and pharmacokinetic properties (ADMET profile). These properties can be applied as a filter in the prescreening step in virtual screening. 

Chemical development Proof of structure and configuration are required as part of the information on chemical development. The methods used at batch release should be validated to guarantee the identity and purity of the substance. It should be established whether a drug produced as a racemate is a true racemate or a conglomerate by investigating physical parameters such as melting point, solubility and crystal properties. The physicochemical properties of the drug substance should be characterized, e.g. crystallinity, polymorphism and rate of dissolution. 

Compound optimization in early- and late-phase drug discovery is covered, emphasizing physicochemical properties, in vitro absorption, metabolism and in vivo animal pharmacokinetic methodologies. 

Liposomes have been widely used as model membranes and their physicochemical properties have therefore been studied extensively. More recently, they have become important tools for the study of membrane-mediated processes (e.g., membrane fusion), catalysis of reactions occurring at interfaces, and energy conversion. Besides, liposomes are currently under investigation as carrier systems for drugs and as antigen-presenting systems to be used as vaccines. 

Malkia A, Murtomaki L, Urtti A and Kontturi K. Drug permeation in biomembranes in vitro and in silico prediction and influence of physicochemical properties. Eur J Pharm Sci 2004 23 13-47. 

Wenlock, M.C., Austin, R.P., Barton, P., Davis, A.M., Leeson, P.D. (2003) A Comparison of Physicochemical Property Profiles of Development and Marketed Oral Drugs. Journal of Medicinal Chemistry, 46,1250-1256. 

The distribution of a drug in the body is largely driven by its physicochemical properties and in part for some compounds by the contribution of transporter proteins [17]. By using the Oie-Tozer equation and estimates for ionization (pfCj). plasma protein binding (PPB) and lipophilicity (log quite robust predictions for the volume of distribution at steady state (Vdss), often within 2-fold of the observed value, can be made [18]. 

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