structural classification
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Author(s):  
Dennys Leyva ◽  
Muhammad Usman Tariq ◽  
Rudolf Jaffé ◽  
Fahad Saeed ◽  
Francisco Fernandez Lima

2022 ◽  
Author(s):  
Gui-yang Xia ◽  
Shi-jie Cao ◽  
Li-xia Chen ◽  
Feng Qiu

This review summarizes the research progress on the structural classification, biological activities and mechanisms, metabolism and pharmacokinetic investigations, biosynthesis, and synthesis and structural modifications of the withanolides.


Author(s):  
Hyun Woo Kim ◽  
Mingxun Wang ◽  
Christopher A. Leber ◽  
Louis-Félix Nothias ◽  
Raphael Reher ◽  
...  

Author(s):  
ZHanna Krasnobaieva-Chorna

The Concept Human: New Achievements and Prospects. Iryna Harbera, “Movnoarealʹne pole kontseptu liudyna: Frazeokodovyĭ rivenʹ i linhvokompʹiuterne modeliuvannia” (TOV “Nilan-LTD”, Vinnytsia 2018, ss. 170)The article is a review of an interesting and significant work which summarizes the qualification features of concepts in the modern linguistic paradigm. The specificity of the verbal objectification of concepts is characterized by means of areal phraseology and the concept human in the phraseology of eastern-steppe Ukrainian dialects is structured. A corpus of phraseological units of eastern-steppe Ukrainian dialects with the archisema ‘human’ was formed. The concept human is represented through a system of cultural codes and inter-code transitions. The linguistic database “The Concept Human in the Phraseology of Eastern-Steppe Ukrainian Dialects” was created, based on the ideographic, axiological, structural classification of phraseological units. The ideographic description of the concept human and the analysis of its secondary semiotic system are integrated. Koncepcja człowieka: nowe osiągnięcia i perspektywy. Iryna Harbera, "Movnoarealʹne pole kontseptu liudyna: Frazeokodovyĭ rivenʹ i linhvokompʹiuterne modeliuvannia" (TOV "Nilan-LTD", Vinnytsia 2018, ss. 170)Artykuł jest recenzją interesującej i znaczącej pracy, w której podsumowuje się cechy kwalifikacyjne konceptu we współczesnym paradygmacie językowym. W monografii opisano specyfikę słownego uprzedmiotowienia konceptu za pomocą środków frazeologii gwarowej i uporządkowano koncept człowieka we frazeologii stepowo-wschodnich dialektów ukraińskich. Utworzono korpus frazeologizmów stepowo-wschodnich dialektów ukraińskich z archisemem ‘człowiek’. Koncept człowieka przedstawiono poprzez system kodów kulturowych i przejść pomiędzy kodami. Językowa baza danych „Koncept człowieka we frazeologii stepowo-wschodnich dialektów ukraińskich” wzoruje się na ideograficznej, aksjologicznej i strukturalnej klasyfikacji frazeologizmów. Zintegrowano opis ideograficzny konceptu człowieka i analizę jego wtórnego systemu semiotycznego.


2021 ◽  
Vol 24 (2) ◽  
Author(s):  
Romina Valdez ◽  
Khevin Roig ◽  
Diego P. Pinto-Roa ◽  
Jose Colbes

Protein structure prediction is one of the most important problems in Computational Biology; and consists of determining the 3D structure of a protein given its amino acid sequence. A key component that has allowed considerable improvements in recent decades is the prediction of contacts in a protein, since it provides fundamental information about its three-dimensional structure. In the 13th edition of the CASP (Critical Assessment of protein Structure Prediction), a notable progress has been evidenced for both problems with the use of deep learning algorithms. For the contact prediction category, the best methods in CASP13 achieved an average precision of 70%. In the present work, the performance of these methods is analyzed using a larger data set, with 483 proteins from four families according to the structural classification of the SCOP database (Structural Classification of Proteins). The selected methods were evaluated using the CASP metrics, and their results indicate an average contact prediction precision greater than 90%. SPOT-Contact was the method with the best overall performance, and one of the methods with the best performance for each SCOP class. The set of proteins used for the experiments and the implementations made for the analysis are publicly available.


Molecules ◽  
2021 ◽  
Vol 26 (15) ◽  
pp. 4563
Author(s):  
Yuan-Yuan Huang ◽  
Lu Chen ◽  
Guo-Xu Ma ◽  
Xu-Dong Xu ◽  
Xue-Gong Jia ◽  
...  

The genus Maytenus is a member of the Celastraceae family, of which several species have long been used in traditional medicine. Between 1976 and 2021, nearly 270 new compounds have been isolated and elucidated from the genus Maytenus. Among these, maytansine and its homologues are extremely rare in nature. Owing to its unique skeleton and remarkable bioactivities, maytansine has attracted many synthetic endeavors in order to construct its core structure. In this paper, the current status of the past 45 years of research on Maytenus, with respect to its chemical and biological activities are discussed. The chemical research includes its structural classification into triterpenoids, sesquiterpenes and alkaloids, along with several chemical synthesis methods of maytansine or maytansine fragments. The biological activity research includes activities, such as anti-tumor, anti-bacterial and anti-inflammatory activities, as well as HIV inhibition, which can provide a theoretical basis for the better development and utilization of the Maytenus.


Author(s):  
David P. Leader ◽  
E. James Milner-White

The β-link is a composite protein motif consisting of a G1β β-bulge and a type II β-turn, and is generally found at the end of two adjacent strands of antiparallel β-sheet. The 1,2-positions of the β-bulge are also the 3,4-positions of the β-turn, with the result that the N-terminal portion of the polypeptide chain is orientated at right angles to the β-sheet. Here, it is reported that the β-link is frequently found in certain protein folds of the SCOPe structural classification at specific locations where it connects a β-sheet to another area of a protein. It is found at locations where it connects one β-sheet to another in the β-sandwich and related structures, and in small (four-, five- or six-stranded) β-barrels, where it connects two β-strands through the polypeptide chain that crosses an open end of the barrel. It is not found in larger (eight-stranded or more) β-barrels that are straightforward β-meanders. In some cases it initiates a connection between a single β-sheet and an α-helix. The β-link also provides a framework for catalysis in serine proteases, where the catalytic serine is part of a conserved β-link, and in cysteine proteases, including Mpro of human SARS-CoV-2, in which two residues of the active site are located in a conserved β-link.


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