Bioactive molecule

H.-J. Bohm, G. Schneider (Eds.), Virtual screening for bioactive molecules, in Methods and Principles in Medicinal Chemistry, Vol. 10, R. Marmhold, H. Kubinyi, H. Timmerman (Eds.), Wiley-VCH, Weinheim, 2000, pp. 1-307... 

B and W J Howe 1991. Computer Design of Bioactive Molecules - A Method for Receptor-Based Novo Ligand Design. Proteins Structure, Function and Genetics 11 314-328. i H L 1965. The Generation of a Unique Machine Description for Chemical Structures - A hnique Developed at Chemical Abstracts Service. Journal of Chemical Documentation 5 107-113. J 1995. Computer-aided Estimation of Symthetic Accessibility. PhD thesis. University of Leeds, itan R, N Bauman, J S Dixon and R Venkataraghavan 1987. Topological Torsion A New )lecular Descriptor for SAR Applications. Comparison with Other Descriptors. Journal of emical Information and Computer Science 27 82-85. 

R. Kfir, E. Johannsen and D. P. Botes, in Mycotoxins and Phycotoxins. Bioactive Molecules, ed. 

Chemistry of photoproteins (modified proteins with luminescent covalent-linked heterocyclic fragments) as interface between bioactive molecules and protein function 98PAC2085. 

Over the last few years the number of heterocyclic N—F reagents has developed tremendously (Fig. 1). The driving force for this interest has been the need for easily accessible and safe reagents capable of the selective fluorination of bioactive molecules. Generated by reaction of F2 with the parent compound, products are obtained that are capable of fluorinat-ing species as diverse as carbanions and aromatics depending on their fluorinating power. 

Aseptic processing is particularly useful with microencapsulated products, which almost always involve solutions of the polymer in organic solvents. Occasionally, bioactive molecules sensitive to... 

A number of anesthetic molecules, including procaine, benzocaine, chloroprocaine, butyl -aininobenzoate, and 2-aminopicoUne, possess primary amino groups. These groups provide a means for the attachment of the bioactive molecules to a pol3 hosphazene skeleton through the chemistry shown in Scheme I (33). 

Linkage of Bioactive Molecules that Contain Carboxylic Acid Groups Amide Linkages... 

A substantial number of bioactive molecules, such as polypeptides, N-acetyl-DL-penicillamine, p-(dipropylsulfamoyl)benzoic acid, and nicotinic acid, contain a carboxylic acid function, and this provides a site for linkage to a polyphosphazene chain. A number of prototype polymers have been synthesized in which pendent amino groups provide coupling sites for the carboxylic acid (34). The amide linkages so formed are potentially bioerodible, but the use of a hydrolytic sensitizing cosubstituent would be expected to accelerate the process. 

Young S, Wong M, Tabata Y et al (2005) Gelatin as a delivery vehicle for the controlled release of bioactive molecules. J Control Release 109 256-274... 

Green DVS. Automated three-dimensional structure generation. In Martin YC and Willett P, editors, Designing bioactive molecules. Three-dimensional techniques and applications. Washington DC, American Chemical Society, 1998 47-71. 

Bohm H-J, Schneider G. Virtual screening for bioactive molecules. Weinheim Wiley-VCH, 2000. 

Bohm HI, Schneider G, editors. Virtual screening for bioactive molecules (Vol. 10 of Mannhold R, Kubinyi H, Timmerman H, editors. Methods and principles in medicinal chemistry). Weinheim Wiley-VCH, 2000. 

Aziridines are versatile intermediates in organic synthesis and commonly found in bioactive molecules. The transition metal-catalyzed nitrene transfer to alkenes is an attractive method for the synthesis of aziridines [7]. In 1984, Mansuy and coworkers reported the first example of an iron-catalyzed alkene aziridination in which iron porphyrin [Fe(TTP)Cl] was used as catalyst and PhINTs was used as nitrene source [30]. Subsequently, the same authors demonstrated that [Fe(TDCPP) (CIO4)] is a more efficient and selective catalyst than [Fe(TTP)Cl] (Scheme 20). 

Transferosomes represent another system of encapsulation using ultradeformable vesicle carriers for bioactive molecules, applied until now for direct transdermal drug delivery. They are built from polar lipids and have high flexibility, and are rich in unsaturated fatty acids and carotenoid pigments." ... 

Anand, R. et al.. Comparison of extraction techniques for extraction of bioactive molecules from Hypericum perforatum L. plant, J. Chromatogr. Sci., 43, 530, 2005. 

Matsumoto K (2007) High-Pressure Synthesis of Heterocycles Related to Bioactive Molecules. 8 1-42... 

Descriptors used to characterize molecules in QSAR studies should be as independent of each other (orthogonal) as possible. When using correlated parameters there is an increased danger of obtaining non-predictive, chance correlation [56]. To examine the correlation between PSA (calculated according to the fragment-based protocol [10]) and other descriptors, we studied a collection of 7010 bioactive molecules from the PubChem database [57]. In addition to PSA, the following parameters were used ... 

Morris, J. J., Bruneau, P. Prediction of physicochemical properties. In Virtual Screening for Bioactive Molecules, Bohm,... 

Lin, S. L., Inoue, Y., and Inoue S., Evaluation of high-performance anion-exchange chromatography with pulsed electrochemical and fluorometric detection for extensive application to the analysis of homologous series of oligo-and polysialic acids in bioactive molecules, Glycobiology, 9, 807, 1999. 

This subject can be considered in terms of five different types of molecules or materials (a) biologically inert, water-insoluble polymers (b) water-insoluble polymers that bear biologically active surface groups (c) water-swellable polymeric gels, or amphiphilic polymers that function as membranes (d) water-insoluble but bioerodable polymers that erode in aqueous media with concurrent release of a linked or entrapped bioactive molecule and (e) water-soluble polymers that bear bioactive agents as side groups. 

The term biology-oriented synthesis (BIOS) [45] has been used to describe the design of compound libraries based on biologically relevant chemical space [46]. The areas in protein structures that participate in productive protein-ligand interactions have been, for the most part, already defined by natural products and drugs. Thus libraries inspired by natural products and other bioactive molecules are expected to have a higher probability of biologically activity than randomly synthesized molecules [47,48]. 

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