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Cyclosporins are a family of hydrophobic cyclic undecapeptides produced by the fungus Tolypocladium niveum. The main metabolite cyclosporin A (CsA, see Scheme, R = R' = H) is the first line drug currently used to prevent rejection of organ transplants. Its ...
Duocarmycins are a potent class of antitumor agents. Their activity arises by their covalent binding to adenine nucleobases of DNA. We use classical mol. dynamics and hybrid (QM/MM) Car-Parrinello mol. dynamics simulations to study non-covalent and covalen ...
In order to decrease the peri-implant bone loss during the life-time of the implant, oral use of anti-osteoporosis drugs (like bisphosphonates) has been suggested. In this study, bone remodeling parameters identified from clinical trials of alendronate wer ...
The discovery of new metal-based antitumor drugs, whether cisplatin derivs. or those based on other metals, has been largely based on cell viability assays (IC50 values) and compds. that bind to DNA. This approach has been applied for more than 30 years du ...
Drug-eluting stents are cardiovascular stents able to release a medical drug after implantation. The medical drug is, in general, aimed at healing the vascular tissues injured after implantation and to prevent restenosis. In spite of their apparent simplic ...
The term 'microbial persistence' describes a phenomenon whereby microorganisms which are drug-susceptible when tested outside the body are nevertheless capable of surviving within the body despite intensive therapy with the appropriate antimicrobial drug. ...
The objective of this study was to unravel the structural properties responsible for the partitioning of solutes in o‐nitrophenyl octyl ether (o‐NPOE)/H2O, a new solvent system for the determination of the partition coefficients of ions. A set of 88 compou ...
Protein design is important to develop new drugs. As such, a knowledge of the correct model to use to design novel proteins is of the utmost importance. Here we show that a simple model where the solvent degrees of freedom are (semi)explicitly taken into a ...
The aim of the study is to evaluate the differences of protein binding of NAMI-A, a new ruthenium drug endowed with selective antimetastatic properties, and of cisplatin and to ascertain the possibility to use two drugs based on heavy metals in combination ...
In the present study, the optimal medium perfusion rate to be used for the continuous culture of a recombinant CHO cell line in a packed-bed bioreactor made of Fibra-Cel disk carriers was detd. A first-generation process had originally been designed with a ...