Academic literature on the topic 'Degree Discipline: Biological Active Molecules'

Several techniques to assisting in the drug design and discovery stages have been developed during the last several decades. The bulk of these techniques aimed to find novel chemical entities that had the greatest significant interaction with the targeted receptors or enzymes while providing the least degree of risk of unwanted interactions. This approach, on the other hand, is time-consuming and expensive, as it requires the screening of thousands of molecules for biological activity, with only one making it to market. The prodrug strategy, in which the active drug molecule is disguised by a promoiety to change its undesirable characteristics, is one of the most appealing and promising methods. The folate receptor (FR)-targeted systems may also open the path for more advanced drug conjugates, especially because this receptor is now being targeted by a variety of technological innovations, including nanoparticles, small molecules, and protein-based technologies, resulting in a wealth of experience in the discipline.

A reduction in the planet’s biodiversity requires an active response by politicians, environmental activists, and scientists. Modern biological education should provide an opportunity to acquire the knowledge and skills necessary to solve complex tasks targeted at preserving and restoring vulnerable species habitats and ecosystems. Students study conservation biology at many universities around the world with this as their goal. For the first time in Russia, a Master’s Conservation Biology course for biology students was developed and tested at Novosibirsk State University. This primer course (108 hours) includes lectures, discussions, excursions, elements of gamification, combines auditorium and online classes, uses social networks for additional communication with students, and experienced practitioners. The course has been highly rated by students and can be expanded to include a larger audience.

Natural products have historically contributed to drug discovery as a source of bioactive molecules, due to their great diversity and structural complexity. They have provided “lead” molecules for the development of drugs in different therapeutic areas, with a very prominent representation in the treatment of pain and inflammation, coagulation disorders, metabolic disorders, as well as in the treatment of cancer and infectious diseases. In recent decades there has been a paradigm shift in drug discovery strategies that has allowed the identification of new active natural products in therapeutic targets. Combinatorial Chemistry and biological tests (High Throughput Screening), together with the development of computational techniques, have contributed decisively to the design and optimization of libraries of natural product derivatives based on their biological activity. In parallel, technological advances in the field of Omics sciences and in data processing lead to a multidimensional approach in the drug discovery process. These powerful tools will allow the analysis of the pharmacological potential of natural products and their derivatives for the conversion of these molecules to active products with low toxicity. In the Precision Medicine era, natural products continue to be molecules with great potential in pharmaceutical development, since, unlike other therapeutic strategies, they have a favorable cost-benefit ratio, which will allow their future use in this discipline.

The synthesis of a new xanthine nitric oxide donor (TSP-81) has been discussed. The designed compound includes two structural moieties - theophylline (1,3-dimethylxanthine) and acetaminophen (4-hydroxyacetanilide) linked by the nitric oxide donor alkyl chain as a spacer. The compound has been characterized by microanalysis (CHN), 1H-NMR, 13C-NMR, FT-IR, UV-vis, TG and DTG. The thermal behaviour showed that TSP-81 melts with decomposition, in four steps, the most important ones being the 2nd one (the registered weight loss being 17.6 %) and the 3rd one (with a registered weight loss of 30.4 %). The toxicity degree, the anti-inflammatory effect and the ability of releasing nitric oxide of the TSP-81 have also been evaluated. The biological assays established that TSP-81 exhibits enhanced biological properties such as lower toxicity and higher anti-inflammatory effect in reference with theophylline and acetaminophen, the drugs used as parents molecules. The TSP-81 is approximately 2 times more active than theophylline and 4 times more active than acetaminophen in reducing cotton pellet-granuloma formation. Furthermore, the release of nitric oxide (NO) appears to have an important contribution to enhancing the anti-inflammatory effect.

Many of the similarity-based virtual screening approaches assume that molecular fragments that are not related to the biological activity carry the same weight as the important ones. This was the reason that led to the use of Bayesian networks as an alternative to existing tools for similarity-based virtual screening. In our recent work, the retrieval performance of the Bayesian inference network (BIN) was observed to improve significantly when molecular fragments were reweighted using the relevance feedback information. In this paper, a set of active reference structures were used to reweight the fragments in the reference structure. In this approach, higher weights were assigned to those fragments that occur more frequently in the set of active reference structures while others were penalized. Simulated virtual screening experiments with MDL Drug Data Report datasets showed that the proposed approach significantly improved the retrieval effectiveness of ligand-based virtual screening, especially when the active molecules being sought had a high degree of structural heterogeneity.

Although significant differences in activity between optical isomers have been recognized in many types of pesticides, the role of stereoselectivity has not been fully characterized for one of the most important classes of commercial herbicides, those that inhibit photosynthetic electron transport. This report describes experiments in which optically active α-methylbenzylamine or sec-butylamine was used as starting material for the synthesis of optically active triazine and urea herbicides. The biological activities of the compounds were determined in two in vitro chloroplast assays - competition for specifically bound [14C]atrazine and inhibition of photosystem II-medi- ated dye reduction - as well as in whole plant phytotoxicity. In both in vitro assays the (-)-isomer of the N-a-methylbenzyl triazine was about 15-fold more active than the (+)-isomer, and the racemate fell in between and was of about the same potency as atrazine. The same relative activities were also seen for in vivo phytotoxicity. The a-methylbenzyl urea derivatives were much less herbicidally active, but the in vitro assays were able to discriminate between the optical isomers. In both assays, the (-)-isomer of the urea was much more active than the (+)-isomer, with the racemate intermediate. Steric factors play a critical role in the degree of this chiral discrimination, since in both the corresponding triazines and ureas, the optically active molecules synthesized from the enantiomers of 2-butylamine showed only slight differences in activity. Saturation of the phenyl ring of the a-methylbenzyl triazines resulted in molecules which still showed substantial differences in activity related to chirality, further supporting the importance of steric factors, rather than electronic, in this chiral discrimination.

Chitosan displays a dual function, acting as both an active ingredient and/or carrier for pharmaceutical bioactive molecules and metal ions. Its hydroxyl- and amino-reactive groups and acetylation degree can be used to adjust this biopolymer’s physicochemical and pharmacological properties in different forms, including scaffolds, nanoparticles, fibers, sponges, films, and hydrogels, among others. In terms of pharmacological purposes, chitosan association with different polymers and the immobilization or entrapment of bioactive agents are effective strategies to achieve desired biological responses. Chitosan biocompatibility, water entrapment within nanofibrils, antioxidant character, and antimicrobial and anti-inflammatory properties, whether enhanced by other active components or not, ensure skin moisturization, as well as protection against bacteria colonization and oxidative imbalance. Chitosan-based nanomaterials can maintain or reconstruct skin architecture through topical or systemic delivery of hydrophilic or hydrophobic pharmaceuticals at controlled rates to treat skin affections, such as acne, inflammatory manifestations, wounds, or even tumorigenesis, by coating chemotherapy drugs. Herein, chitosan obtention, physicochemical characteristics, chemical modifications, and interactions with bioactive agents are presented and discussed. Molecular mechanisms involved in chitosan skin protection and recovery are highlighted by overlapping the events orchestrated by the signaling molecules secreted by different cell types to reconstitute healthy skin tissue structures and components.

Holistic medicine is an interdisciplinary field of study that integrates all types of biological information (protein, small molecules, tissues, organs, external environmental signals, etc.) to lead to predictive and actionable models for health care and disease treatment. Despite the global and integrative character of this discipline, a comprehensive picture of holistic medicine for the treatment of complex diseases is still lacking. In this study, we develop a novel systems pharmacology approach to dissect holistic medicine in treating cardiocerebrovascular diseases (CCDs) by TCM (traditional Chinese medicine). Firstly, by applying the TCM active ingredients screened out by a systems-ADME process, we explored and experimentalized the signed drug-target interactions for revealing the pharmacological actions of drugs at a molecule level. Then, at a/an tissue/organ level, the drug therapeutic mechanisms were further investigated by a target-organ location method. Finally, a translational integrating pathway approach was applied to extract the diseases-therapeutic modules for understanding the complex disease and its therapy at systems level. For the first time, the feature of the drug-target-pathway-organ-cooperations for treatment of multiple organ diseases in holistic medicine was revealed, facilitating the development of novel treatment paradigm for complex diseases in the future.

Environmental engineering education has been an active option for engineers from all disciplines for nearly 50 years at the graduate level. Some graduate programs expanded to integrate students with undergraduate science degrees with the engineering programs, since the cross discipline interaction is required outside the academic programs. In the mid-1980s interest increased to such a level that undergraduate programs began to form. Several of these programs have been accredited in their various forms recognizing the diversity of the field and those presenting the programs. The progression from graduate-degree-based specializations to broad-based undergraduate programs reflects both the increased knowledge in the field and the increased demand for professional engineers capable of responding to public health and environmental protection issues. Graduate programs greatly expand fundamental knowledge of physical, chemical, and biological processes and their application to protection problems. Of course, the doctorate is dedicated to the development of significant new knowledge. This paper defines several of the basic components of the environmental engineering profession and the educational process needed to produce qualified environmental engineers.Key words: environmental engineering, education, courses, undergraduate environmental engineering, graduate environmental engineering.

Eukaryote plasma membranes protect cells from chemical attack. Xenobiotics, taken up through passive diffusion, accumulate in the membranes, where they are captured by transporters, among which P-glycoproteins (Pgps). In nematodes such as Haemonchus contortus, eggshells and cuticles provide additional protective barriers against xenobiotics. Little is known about the role of these structures in the transport of chemical molecules. Pgps, members of the ABC transporter family, are present in eggshells and cuticles. Changes in the activity of these proteins have also been correlated with alterations in lipids, such as cholesterol content, in eggshells. However, the cellular mechanisms underlying these effects remain unclear. We show here that an experimental decrease in the cholesterol content of eggshells of Haemonchus contortus, with Methyl-beta-CycloDextrin (MβCD), results in an increase in membrane fluidity, favouring Pgp activity and leading to an increase in resistance to anthelmintics. This effect is modulated by the initial degree of anthelminthic resistance of the eggs. These results suggest that eggshell fluidity plays a major role in the modulation of Pgp activity. They confirm that Pgp activity is highly influenced by the local microenvironment, in particular sterols, as observed in some vertebrate models. Thus, eggshell barriers could play an active role in the transport of xenobiotics.

Prekladaný vysokoškolský učebný text „Bioenergetika“ by mal slúžiť ako úvod do problematiky štúdia v oblasti bioenergetiky. Táto vedná oblast je v súčasnosti vysoko aktuálna, pretože výsledky získané bioenergetickým výskumom v uplynulých rokoch zreteľne ukazujú, že bioenergetické procesy prebiehajúce v živých systémoch neslúžia “len” na transformáciu energie, ale ovplyvňujú aj priebeh procesov ako sú apoptóza, starnutie, vznik a rozvoj mnohých ochorení (predovšetkým neurodegeneratívnych). Tieto skutočnosti jednoznačne naznačujú potrebu existencie kvalitných učebných textov, ktoré by prijateľným spôsobom umožnili študentom získať potrebné informácie a vedomosti v tejto vednej discipline. Z vyššie uvedených dôvodov sme sa rozhodli vytvoriť tieto učebné texty, ktoré sú vo forme desiatich samostatných kapitol, ktoré však na seba prirodzene a logicky nadväzujú. Jedna kapitola predstavuje v podstate jednu prednášku v rámci kurzu Bioenergetiky, ktorý je realizovaný na Prírodovedeckej fakulte Univerzity Pavla Jozefa Šafárika v Košiciach na magisterskom a doktorandskom stupni študijného programu „Biofyzika“. Zároveň tieto texty môžu poslúžiť aj pri výučbe v študijnom predmete Biochémia, ktorý je prednášaný v bakalárskych a magisterských stupňoch študijných programov “Biochémia” resp. “Biofyzika”. Dovoľujeme si vyjadriť presvedčenie, že tieto učebné texty by mohli byť istým spôsobom nápomocné aj vedeckým pracovníkom pracujúcim v oblasti výskumu týkajúcho sa problematiky transformáci energie v biologických organizmoch a fenoménoch spojených s touto transformáciou. V týchto učebných textoch sú postupne uvádzané poznatky týkajúce sa základných konceptov bioenergetiky, mechanizmov procesov ako sú glykolýza a Krebsov cyklus (okrem podrobného a uceleného popis týchto procesov je tu uvedený aj všeobecný náhľad o prepojenosti týchto procesov ako aj ich začlenenie do kompaktného pohľadu na celkový proces transformácie energie v biologických organizmoch), zloženia štruktúry a funkčnosti biologických membrán (táto oblast je nevyhnutná pre lepšie pochopenie poznatkov, ktoré sú uvedené v nasledujúcich kapitolách). V nasledujúcich kapitolách sa učebný text zaoberá popisom štruktúry a funkcie mitochondrií, pričom veľký dôraz je dávaný na popis vlastností a mechanizmov fungovania štyroch komplexov dýchacieho reťazca a ATP-syntázy. Tieto komplexy vytvárajú podmienky pre existenciu “najdôležitejšieho” bioenergetického procesu, oxidatívnej fosforylácie. V záverečných dvoch kapitolách sú uvedené mechanizmy procesov vytvárajúcich fotosyntézu, jej svetlej aj tmavej fázy. Sú tu relevantné informácie o tomto “druhom” najdôležitejšom bioenergetickom procese prebiehajúcom v mnohých biologických organizmoch a poskytujúcom možnosť transformácie enrgie elektromagnetického žiarenia na energiu “ukrytú” v chemických väzbách určitých chemických molekúl. Chceme vyjadriť naše presvedčenie, že predložené učebné texty “Bioenergetika” budú dobrým “pomocníkom a inšpirátorom” pre mnohých študentov, ktorí sa budú chcieť dozvedieť čo najviac o fascinujúcich štruktúrach a mechanizmoch umožňujúcich transformáciu energie v živých systémoch, bez ktorej by nebola možná existencia života ako ho poznáme. Želáme príjemné a podnetné čítanie a štúdium. URL: www.unibook.upjs.sk The textbook "Bioenergetics" should serve as an introduction to the study of bioenergetics. This field of science is currently highly actual, as the results of the bioenergetics research in recent years clearly show that bioenergetics processes in living systems can "serve" not only to transformation of energy, but also affect the course of processes such as apoptosis, aging, origin and development of many diseases (especially neurodegenerative). These facts clearly indicate the need for the existence of quality teaching texts that would allow students to acquire the necessary information and knowledge in this scientific discipline in an acceptable way. For the above mentioned reasons, we decided to create these textbooks, which are in the form of ten chapters, which naturally and logically follow each other. One chapter basically presents one lecture within the course of Bioenergetics, which is realized at the Faculty of Science of the Pavel Jozef Šafárik University in Košice at the master's and doctoral degree of the study program "Biophysics". At the same time, these texts can also be used for teaching in the study subject Biochemistry, which is taught in the bachelor's and master's degree programs of the study programs "Biochemistry" resp. “Biophysics”. We would like to express our conviction that these textbooks could in some way also help researchers working in the field of the energy transformation in biological organisms and the phenomena associated with this transformation. These textbooks present knowledge about the basic concepts of bioenergetics, the mechanisms of processes such as glycolysis and the Krebs cycle (in addition to a detailed and comprehensive description of these processes, there is also a general view of the interconnectedness of these processes and their incorporation into a compact view of the overall energy transformation in biological organisms), the structure and functionality of biological membranes (this area is necessary for a better understanding of the knowledge presented in the following chapters). In the following chapters, the textbook deals with the description of the structure and function of mitochondria, with great emphasis on the properties and mechanisms of functioning of the four complexes of the respiratory chain and ATP-synthase. These complexes create the basis for the existence of the "most important" process in bioenergetics, oxidative phosphorylation. In the final two chapters, the mechanisms of the processes that produce photosynthesis, its light and dark phases, are presented. There is relevant information about this "second" most important bioenergetics process taking place in many biological organisms and providing the possibility of transforming the energy of electromagnetic radiation into energy "hidden" in the chemical bonds of certain chemical molecules. We want to express our conviction that the textbooks "Bioenergetics" will be a good "helper and inspirer" for many students who want to learn as much as possible about the fascinating structures and mechanisms for energy transformation in living systems, without which it would not be possible existence of life as we know it.

In this chapter we present an engineering discipline to obtain complex, predictable, and reliable cell behaviors by embedding biochemical logic circuits and programmed intercellular communications into cells. To accomplish this goal, we provide a well-characterized component library, a biocircuit design methodology, and software design tools. Using the cellular gates,we introduce genetic process engineering, a methodology for modifying the DNA encoding of existing genetic elements to achieve the desired input/output behavior for constructing reliable circuits of significant complexity.We also describe BioSpice, a prototype software tool for biocircuit design that supports both static and dynamic simulations and analysis of singlecell environments and small cell aggregates. The goal of our research is to lay the foundations of an engineering discipline for building novel living systems with well-defined purposes and behaviors using standardized, well-characterized components. Cells are miniature, energy efficient, self-reproduce, and can manufacture biochemical products. These unique characteristics make cells attractive for many novel applications that require precise programmed control over the behavior of the cells. The applications include nanoscale fabrication, embedded intelligence in materials, sensor/effector arrays, patterned biomaterial manufacturing, improved pharmaceutical synthesis, programmed therapeutics, and as a sophisticated tool for in vivo studies of genetic regulatory networks. These applications require synthesis of sophisticated and reliable cell behaviors that instruct cells to make logic decisions based on factors such as existing environmental conditions and current cell state. For example, a cell may be programmed to secrete particular timed sequences of biochemicals depending on the type of messages sent by its neighbors. The approach proposed here for engineering the requisite precision control is to embed internal computation and programmed intercellular communications into the cells. The challenge is to provide robust computation and communications using a substrate where reliability and reproducible results are difficult to achieve. Biological organisms as an engineering substrate are currently difficult to modify and control because of the poor understanding of their complexity. Genetic modifications to cells often result in unpredictable and unreliable behavior. A single Escherichia coli bacterial cell contains approximately 1010 active molecules, about 107 of which are protein molecules.