ABSTRACT
In the wake of recent COVID-19 pandemics scientists around the world rushed to deliver numerous CADD (Computer-Aided Drug Discovery) methods and tools that could be reliably used to discover novel drug candidates against the SARS-CoV-2 virus. With that, there emerged a trend of a significant democratization of CADD that contributed to the rapid development of various COVID-19 drug candidates currently undergoing different stages of validation. On the other hand, this democratization also inadvertently led to the surge rapidly performed molecular docking studies to nominate multiple scores of novel drug candidates supported by computational arguments only. Albeit driven by best intentions, most of such studies also did not follow best practices in the field that require experience and expertise learned through multiple rigorously designed benchmarking studies and rigorous experimental validation. In this Viewpoint we reflect on recent disbalance between small number of rigorous and comprehensive studies and the proliferation of purely computational studies enabled by the ease of docking software availability. We further elaborate on the hyped oversale of CADD methods' ability to rapidly yield viable drug candidates and reiterate the critical importance of rigor and adherence to the best practices of CADD in view of recent emergence of AI and Big Data in the field.
Subject(s)
COVID-19 , Drug Design , Humans , Molecular Docking Simulation , Computer-Aided Design , SARS-CoV-2ABSTRACT
The article substantiates the influence of digitalization on human development in the process of constructing a welfare economy. The task of constructing a welfare economy cannot be fulfilled without providing human development. Simultaneously digitalization pushed by the spread of the pandemic of corona virus became the worldwide trend and changed the essence of production relations. Because of the fact that development of human capital is always connected to the development of production relations it is relevant in current conditions to look for the connection between human development and the process of digitalization. It should be admitted that human capital continuously obtains new digital skills and because of the fact that these skills cannot be separated from the persons-carriers the diffusion of innovations is fulfilled in the economy with the movement of the qualified work resources from one place of occupation to another. The more knowledge and digital aimed the human resources are the better the chances to construct a welfare economy in some country become. In this connection the dynamics of the indices indicating the innovations and the human development are important to measure welfare. © 2023, The Author(s), under exclusive license to Springer Nature Switzerland AG.
ABSTRACT
The article deals with the problem of interaction of public authorities of different levels in federal states within the framework of the fight against the COVID-19 pandemic. The experience of such countries as Aus-tralia, Brazil, India, USA, Switzerland and Germany is analyzed. As the development of events in the countries under consideration showed, a proper response to the threat of a pandemic in federal states can be somewhat difficult taking into account their characteristic system of multilevel governance and complex mechanisms of delineation of powers between the federation and its subjects. At the same time, the federal form of the state structure has also certain advantages including the possibility of applying a more flexible and differentiated approach towards individual territories and the availability of the established mechanisms of interaction between public authorities of different levels. © 2022.