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Measurement Method for Orthopaedics
Published in P. Arpaia, U. Cesaro, N. Moccaldi, I. Sannino, Non-Invasive Monitoring of Transdermal Drug Delivery, 2022
P. Arpaia, U. Cesaro, N. Moccaldi, I. Sannino
A characterization of the absorption process is crucial to both the design of improved drug delivery systems, and the definition of the pharmacokinetic as well as pharmacodynamics features, required for adjusting the dose progressively in pharmacology therapies [178]. In 2015, the European Medicine Agency already highlighted the critical demand to establish and define new methods for measuring the in-vivo administered of multiple classes of drugs.
Biotransformation of Xenobiotics in Living Systems—Metabolism of Drugs: Partnership of Liver and Gut Microflora
Published in Peter Grunwald, Pharmaceutical Biocatalysis, 2020
The study of drug metabolism or biotransformation is particularly important to our understanding of the time course of drugs in the body, the structuring of dosage regimens, the pharmacology and toxicology of drug metabolites, and the interactions of multivalent drug combinations (Bachmann, 2009). Since it has become evident that all patients are unique in terms of disparate therapeutic response to drugs due to differences in age, sex, genetic inheritance, coexisting disorders (particularly chronic liver disorders and advanced heart failure), concomitant therapy, and other physiological factors, monitoring individual pharmacokinetic and pharmacodynamic response will be the challenge of modern pharmacotherapy (Ahmed et al., 2016). Drug discovery requires the characterization of the enzymes involved in the metabolism of a new compound and the determination of its biotransformation pathways and metabolic stability (Foti and Dalvie, 2016). Potential impacts of species differences in drug metabolism and the potential coverage of major human metabolites in animals should be thoroughly evaluated in drug design process. Therefore, the identification of circulating metabolites in clinical trials is highly recommended as early as possible (Zhang and Tang, 2018). The more-in-depth understanding of drug metabolism in combination with modern diagnostic techniques including genomics and proteomics could yield the revolution in individual therapy (Murphy, 2001).
Quality by Design Considerations
Published in Anthony J. Hickey, Sandro R.P. da Rocha, Pharmaceutical Inhalation Aerosol Technology, 2019
William Craig Stagner, Anthony J. Hickey
The ultimate beneficiary of the quality target product profile (QTPP) is the patient. The QTPP is a strategic prospective compilation of product characteristics aimed to ensure desired safety, efficacy, and commercial success. A target product profile is typically developed by a multidisciplinary team. The TPP is a “living” document that is reviewed and revised throughout the various development phases. Each team member is responsible for being a patient advocate. The team composition varies depending if the drug is a small molecule or a biotechnology-derived product. Disciplines often represented are molecular biology, chemistry research and development, bioengineering, pharmacology, toxicology/drug safety, metabolism, pharmacokinetics, formulation design and manufacturing, clinical development, commercial manufacturing, and marketing.
Interaction of pseudohalides copper(II) complexes of hydrazide ligand with DNA: synthesis, spectral characterization, molecular docking simulations and superoxide dismutase activity
Published in Inorganic and Nano-Metal Chemistry, 2022
Abhay K. Patel, Neetu Patel, R. N. Jadeja, S. K. Patel, R. N. Patel, S. Kumar, R. Kapavarapu
The interactions between metal complexes and deoxyribonucleic acid (DNA) are of great importance, owing to their applications in biology and medicines.[1,2] In the meantime, DNA remains a biological target of considerable interest for the design of therapeutic drugs. The intelligence to interact with DNA has been evaluated by various factors like coordination around metal center and nature of ligand. The low molecular weight metal complexes have the potential to modify biochemical functions. Therefore, chemical biology, pharmacology and medicines are interconnected. Hydrazone complexes of transition metal complexes are known to furnish useful models for the illumination of the mechanism of enzyme inhibition of hydrazine derivatives[3] and their probable pharmacological applications.[4] Furthermore, hydrazone complexes have been studied for many years as a result of their antitumor and antibacterial activities.[5] In recent times, it is established that such potential ligands can act as effective catalysts toward the alkene epoxidation[6] and as binders to transition metals.[7]
The effects of synthesized silver nanowires on the structure and esterase-like activity of human serum albumin and their impacts on human endometrial stem cells
Published in Inorganic and Nano-Metal Chemistry, 2022
Azadeh Hekmat, Shadie Hatamie, Ali Akbar Saboury
In human blood plasma, drugs are mostly transported by human holo-transferrin (HTF) and HSA.[7] Human serum albumin (HSA) is a helical triple-domain structure protein that contains 585 amino acids in its single polypeptide chain.[8,9] The study of the interaction between nanomaterial and HSA has been a great area of research in chemical biology and pharmacology. HSA has a high affinity to reversibly bind with a large range of exogenous and endogenous nanomaterials for example nanodiamonds,[8] berberine nanoparticles,[7] and nano-curcumin.[10] Binding of a nanomaterial to HSA, cause an increased nanomaterial solubility in plasma as well as decreased toxicity. This binding can affect nanomaterial distribution and elimination.[11] However, the binding of the nanomaterial with HSA could alter the intramolecular forces that are responsible for stabilizing the HSA conformation. Subsequently, the investigation of the binding induced structural variations in the secondary structure of biomolecules in vitro upon interaction with nanomaterials remains important in terms of determining their biocompatibility in vivo.[12]
Molecular dynamics simulations of the chiral recognition mechanism for a polysaccharide chiral stationary phase in enantiomeric chromatographic separations
Published in Molecular Physics, 2019
Xiaoyu Wang, David W. House, Priyanka A. Oroskar, Anil Oroskar, Asha Oroskar, Cynthia J. Jameson, Sohail Murad
In pharmaceutical industries, 56% of the drugs currently in use are chiral molecules and 88% of the latter are marketed as racemates (racemic mixtures), consisting of an equimolar mixture of two enantiomers [1]. Although the enantiomers of chiral compounds have the same chemical structure, they can exhibit marked differences in their pharmacology, toxicology, pharmacokinetics, metabolism, and/or physiological activity because they differ in their interactions with proteins, receptors, and other chiral molecules in biological systems. To ensure that only the intended enantiomer is present in the final drug preparation, chiral separation techniques are employed to recover the desired active enantiomer and remove the undesirable enantiomer(s). Separation techniques require a chiral agent, usually a stationary phase. There are many methods used, but in each case, the separation depends on transiently forming diastereomers between a chiral selector having a known chirality, and the molecules of the racemate. There is extensive literature on criteria for chiral discrimination via interactions of various functional groups on the racemate with groups on the chiral selector [2–5]. However, there is incomplete understanding of the molecular mechanism for chiral recognition in that previous models are static rather than dynamic, and often do not include solvent effects, whereas chiral separation methods, such as chromatography, are dynamic processes and have the racemates in solution phase. Even when molecular dynamics (MD) simulations had been carried out, ultimately, only the static lowest energy structure for the enantiomer with the chiral agent, not a dynamic average, is used to justify which enantiomer elutes first [6–17].