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In recent years, digital tools have become a crucial aspect of education worldwide. India holds a significant role in this domain, ranking second globally in the adoption of digital tools for educational purposes. These tools are transforming traditional learning methods, theories, and concepts. Digital tools are essentially the integration of technology, content, and instructional methods within the educational system to enhance its effectiveness and efficiency. They offer an engaging learning experience for all students, especially children, as the innovative audio-video features stimulate cognitive processes in their brains. Educational institutions are increasingly incorporating digital tools into their teaching methods, aiming to create a more inclusive and interactive classroom setting. Digital tools are equally important for students, teachers, and parents. Numerous digital educational platforms have emerged, such as SWAYAM, SWAYAMPRABHA, NATIONAL DIGITAL LIBRARY, e-YANTRA, VIRTUAL LABORATORIES, e-GYANKOSH, Gyanvani, DISKSHA, SAKSHAT. The objective of this paper is to shed light on digital tools, their different types, their importance, and the challenges they face.
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Information is very important for students, teachers and research scholar. Due to expansion of number of Document being published the users is unable to track what is coming up in his area of interest .To overcome this problem all types of Libraries/Information Centre's are organized to provide some basic services which are rendered either in anticipation or a demand from the users. This Information services provided in anticipation are termed as alerting services. In this paper we will discuss about Library Alerting Services, its types, Current Awareness Service, Characteristics of CAS, Need of CAS and Mode of presentation in CAS.
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Resumen La levadura Saccharomyces cerevisiae es un suplemento nutricional y aditivo alimentario que podría aportar hierro de alta biodisponibilidad. Asimismo, varios estudios han demostrado la viabilidad del uso de oligopéptidos quelantes de hierro para tratar la anemia y por tanto, su producción en células de levadura podría proporcionar ventajosamente un suplemento fácil de usar. En este estudio, se optimizó una estrategia de clonación in vivo para construir una biblioteca de plásmidos semialeatoria que permite la producción de oligopéptidos con seis repeticiones de secuencias Asp/Glu-Asp/Glu-Leu. En éstos, la primera y segunda posición podrían incluir residuos de aspartato o glutamato, mientras que la tercera es siempre leucina. Adicionalmente, varios plásmidos fueron construidos para permitir el estudio de variantes del oligopéptido Arg-Glu-Glu, previamente reportado como quelante de hierro. En cada caso, las construcciones de los plásmidos requeridos se realizaron mediante la estrategia de clonación in vivo en la levadura S. cerevisiae, que se basa en la reparación de brechas en el ADN por recombinación homóloga. El procedimiento implica la cotransformación de células de levadura con el plásmido linealizado y el fragmento a clonar, ambos con secuencias flanqueantes homólogas. Los transformantes resultantes albergan a los plásmidos correctamente ensamblados y comienzan a expresar los genes clonados, permitiendo así el análisis inmediato de los oligopéptidos sintetizados de secuencias conocidas o semialeatorias.
Abstract Saccharomyces cerevisiae yeast serves as a nutritional supplement and food additive that may offer highly bioavailable iron. Several studies have demonstrated the viability of using iron-chelating oligopeptides to treat anaemia, suggesting that their production in yeast cells could advantageously provide an easy-to-use supplement. In this study, an in vivo cloning strategy was optimized to construct a semi-random plasmid library that enables the production of oligopeptides with six repetitions of Asp/Glu-Asp/Glu-Leu sequences. In these sequences, the first and second positions can include either aspartate or glutamate residues, while the third is always leucine. Additionally, several plasmids were constructed to allow the study of variants of the Arg-Glu-Glu oligopeptide, previously reported as an iron chelator. In each case, the required plasmid constructions were performed using an in vivo cloning strategy in S. cerevisiae, based on gap repair by homologous recombination. The procedure involves the co-transformation of yeast cells with the linearized plasmid and the fragment to be cloned, both with homologous flanking sequences. The resulting transformants harbor the correctly assembled plasmids and begin expressing the cloned genes, thereby enabling immediate analysis of the synthesized oligopeptides with known or semi-random sequences.
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With the development of the diagnosis and treatment for rare diseases and the promotion of the construction of ′Double First-Class′ Universities in China, the libraries of medical schools have to make full use of their strengths to better face new challenges in discipline construction proactively. This article refers to resource and information service practices related to the rare disease carried out by medical libraries in China and in other countries; explores the possibilities of building up the resource and information in the future, aiming at improving the awareness of rare diseases among medical students, researchers, and the general public. The article also focuses on the need for strengthening the support for teaching and research into rare diseases, hoping to contribute to the overall improvement of the diagnosis, treatment, and educational research in rare diseases in China.
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@#Objective To discuss the significance and feasibility of infodemiology researches in hospital library.Methods This paper analyzed the background,significance,advantages,constraints,research direction and themes of the hospital library's researches on infodemiology.Results Hospital library had the advantages of disciplinary background and convenient resources to carry out researches on infodemiology,and can carry out researches in many aspects such as network health information evaluation,network health information monitoring,medical intervention measures evaluation,public opinion analysis and management.Conclusion It is feasible for hospital libraries to carry out infodemiology researches to promote their own transformation and to help hospital make decisions.
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Talents are the main force for the development of traditional Chinese medicine(TCM), and the construction of TCM talents and the reformation of talent evaluation system are essential to promote the inheritance and innovation of TCM. At present, we are still exploring and developing in the fields of the formulation, implementation and evaluation indicators of TCM talent evaluation system. However, there are shortcomings and difficulties. For instance, insufficient stratification in the evaluation, excessive emphasis on the quantity of achievements, neglecting the quality of the achievements and the actual contribution, imperfect assessment indicators, and the weak characteristics of TCM. Therefore, national ministries and commissions have jointly issued a document requesting to break the four only and set a new standard, in order to promote the construction of a scientific and technological talent evaluation system oriented by innovation value, ability and contribution. For the evaluation of TCM clinical talents, China Association for Science and Technology commissioned China Association of Chinese Medicine to build the China Clinical Cases Library of TCM(CCCL-TCM), which aims at collecting the most authoritative and representative TCM clinical cases and exploring the advantages of applying clinical cases as masterpiece of achievement in TCM clinical talents evaluation. CCCL-TCM can promote the construction of a talent evaluation system that is more in line with the development characteristics of TCM industry, and to carry out relevant pilot in TCM colleges and institutions across the country in order to promote the reformation of TCM talent evaluation system.
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DNA-encoded chemical library (DEL) links the power of amplifiable genetics and the non-self-replicating chemical phenotypes, generating a diverse chemical world. In analogy with the biological world, the DEL world can evolve by using a chemical central dogma, wherein DNA replicates using the PCR reactions to amplify the genetic codes, DNA sequencing transcripts the genetic information, and DNA-compatible synthesis translates into chemical phenotypes. Importantly, DNA-compatible synthesis is the key to expanding the DEL chemical space. Besides, the evolution-driven selection system pushes the chemicals to evolve under the selective pressure, i.e., desired selection strategies. In this perspective, we summarized recent advances in expanding DEL synthetic toolbox and panning strategies, which will shed light on the drug discovery harnessing in vitro evolution of chemicals via DEL.
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China Clinical Cases Library of Traditional Chinese Medicine is built to promote the establishment of a scientific and technological talent evaluation system oriented on innovative value, ability and contribution in the backgroud of breaking the four only and setting new standards required by the document jointly issued by several national administrations and commissions. In the process of the construction, in order to further consolidate the foundation and ensure the quality and authority of case reports, we need to fully understand the origin and development of Chinese medical cases. Therefore, we clarified the development situation of Chinese medical cases by combing the characteristics of ancient and modern case reports, comparing the differences between Chinese and western medical case reports in terms of content and writing requirements, finally formed the main points of systematic case report norms and quality evaluation system, aiming to fully explore the unique advantages of Chinese medical cases in the fields of discipline development, scientific research innovation, clinical practice and guidance, talent evaluation and training, so as to promote its innovative development in a broader direction.
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With the development of the diagnosis and treatment for rare diseases and the promotion of the construction of ′Double First-Class′ Universities in China, the libraries of medical schools have to make full use of their strengths to better face new challenges in discipline construction proactively. This article refers to resource and information service practices related to the rare disease carried out by medical libraries in China and in other countries; explores the possibilities of building up the resource and information in the future, aiming at improving the awareness of rare diseases among medical students, researchers, and the general public. The article also focuses on the need for strengthening the support for teaching and research into rare diseases, hoping to contribute to the overall improvement of the diagnosis, treatment, and educational research in rare diseases in China.
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Objective@#To evaluate the clinical efficacy of invisible orthodontic appliances without brackets for the distal movement of maxillary molars to improve the ability of orthodontists to predict treatment outcomes.@*Methods@#Web of Science, Cochrane Library, Embase, PubMed, Wanfang Database, CNKI Database, and VIP Database were searched for studies investigating the efficacy of invisible orthodontic appliances for distal movement of maxillary molars in adult patients and published from database inception to August 1, 2023. A total of three researchers screened the studies and evaluated their quality and conducted a meta-analysis of those that met quality standards.@*Results@#This study included 13 pre- and postcontrol trials with a total sample size of 281 patients. The meta-analysis revealed no significant differences in the sagittal or vertical parameters of the jawbone after treatment when compared with those before treatment (P>0.05). The displacement of the first molar was MD=-2.34, 95% CI (-2.83, -1.85); the displacement was MD=-0.95, 95% CI (-1.34, -0.56); and the inclination was MD=-2.51, 95% CI (-3.56, -1.46). There was a statistically significant difference in the change in sagittal, vertical, and axial tilt of the first molar before and after treatment. After treatment, the average adduction distance of the incisors was MD=-0.82, 95% CI (-1.54, -0.09), and the decrease in lip inclination was MD=-1.61, 95% CI (-2.86, -0.36); these values were significantly different from those before treatment (P<0.05).@*Conclusion@#Invisible orthodontic appliances can effectively move the upper molars in a distal direction and control the vertical position of the molars. When the molars move further away, there is some degree of compression and distal tilt movement, which is beneficial for patients with high angles. The sagittal movement of incisors is beneficial for improving the patient's profile.
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Small molecule drug screening technology is continuously evolving and expanding along with drug discovery,and the innovation in drug screening technology can improve the research and development efficiency and success rate,shorten the cycle time,and reduce the cost.From traditional screening technologies based on known active compounds and high-throughput screening(HTS)to new technologies such as structure-based drug discovery(SBDD),fragment-based drug discovery(FBDD),DNA encoded compound library(DEL)and proteolysis targeting chimeras(PROTAC),small molecule drug screening technologies are continuously broadening the market potential for small molecule drugs.This article will provide an overview of the current status of small molecule drug screening technology,systematically review each technique along with their advantages and disadvantages,and offer essential insights for the development of new small molecule drug screening technologies.
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We performed a Relation Computed-Aided design based on the structure of benzo[d]isoxazol derivatives inhibitors (BDIO) derivatives, new potent inhibitors of the BRD4 protein. By using in situ modifications of the three Dimensional (3D) models of BRD4-BDIOx complex (Protein Data Bank (PDB) entry code: 5Y8Z) were prepared for the training and validation sets compounds of 29 BDIOx with observed inhibitory potencies (). We first built a Quantitative Structure Activity Relationship (QSAR) model in the gas phase, linearly correlating the calculated enthalpies of the BRD4-BDIOx complex formation with ( ; = 0,80) first and then a superior QSAR model was brought forth, correlating computed relative Gibbs’ free energies of complexation and ( = -0.1205 + 6.9374 ; = 0.96) which was then validated by a 3D-QSAR pharmacophore generation model (PH4) ( = 0.996 + 0.0554 ; = 0.95). The structural information of the active conformation of the training set BDIOs from the models guided us in the design of a virtual combinatorial library (VCL) of 99 225 analogs. We then filtered the VCL by applying Lipinski’s rule-of-five, in order to identify new BDIOs drug likely analogs. The Pharmacophore (PH4)-based screening retained 106 new and potent BDIOs with predicted inhibitory potencies up to 158 times more active than the most active traing set BDIO1 ( ). Finally, the predicted pharmacokinetic profiles of the best potent of these new analogs ( ) were compared to current orally administered anticancer drugs. This computational approach, which combines molecular mechanics and the Poisson–Boltzmann (PB) implicit solvation theory, the pharmacophore model, the analysis of BRD4-BDIOs interaction energies, the in silico screening of VCL compounds, and the inference of ADME properties resulted in a set of new suggested BRD4 inhibitors for the fight against CRPC.
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Tuberculosis (TB) is a deep public health concern worldwide worsened by reported multi drug-resistant (MDR) and extensively drug-resistant (XDR) strains of Mycobacterium tuberculosis, the causative agent of the disease. A new class of thiadiazole inhibitors were reported to inhibit the enoyl-acyl transporter protein reductase (InhA) of Mycobacterium tuberculosis(MTb).We performed here the computer-aided molecular design of novel thiadiazole (TDZ) inhibitors of InhA by in situmodifying the reference crystal structure of (S)-1-(5-((1-(2,6-difluorobenzyl)-1H-pyrazol-3-yl)amino)-1,3,4-thiadiazol-2-yl)-1-(4-methylthiazol-2-yl)ethanol-InhA (PDB code: 4BQP). Thus a training set of 15 hybrids with known inhibition potency (IC50exp) was selected to establish a one-descriptor quantitative structure-activity relationship (QSAR) model resulting in a linear correlation between the Gibbs free energy (GFE) during the formation of the InhA-TDZ complex and IC50exp(pIC50exp= = -0.29x??Gcom+ 8.13; n=15; R2= 0.92, R2xv= 0.91; F-test of 142.6; ? = 0.21; ? > 95%; R2-R2xv= 0.01). The 3D pharmacophore model (PH4) generated from the active conformations of TDZs (pIC50exp= 0.93×pIC50pred+ 0.47; n=15; R2= 0.97; R2xv= 0.94; F-test of 215.45; ? = 0.17; ? > 98%; R2-R2xv= 0.03) served as a virtual screening tool for new analogs from a virtual library (VL). The combination of molecular modeling and PH4 in silicoscreening of VL resulted in the identification of novel potent antitubercular agent candidates with favorable pharmacokinetic profiles of which the six best hits predicted inhibitory potencies IC50prein the sub nanomolar range (0.1–0.2nM).
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RESUMEN Objetivo. Evaluar la calidad higiénico-sanitaria de la leche bovina de Nariño mediante los recuentos de mesófilos aerobios y de células somáticas y determinar presencia de microorganismos ambientales importantes en salud pública como Salmonella spp., Escherichia coli O157, Listeria monocytogenes, Staphylococcus aureus y Yersinia enterocolítica y evaluar las variaciones de los parámetros de calidad en dos periodos lluviosos diferentes. Materiales y métodos. Se tomaron muestras de leche en 180 predios de cuatro subregiones naturales, en épocas de diferente precipitación. A cada muestra se le realizó recuento de aerobios mesófilos, y el recuento de células somáticas por citometría de flujo, y el de Coliformes totales mediante lectura en placa. La detección de Salmonella spp., Escherichia coli O157:H7 y Listeria monocytogenes por el sistema de detección molecular MDS 3M, Staphylococcus aureus y Yersinia enterocolitica por microbiología convencional. Resultados. Los recuentos de células somáticas fueron superiores en la época de altas precipitaciones. La mediana de los recuentos de mesófilos y coliformes totales fue de 20.085 UFC/ml, 265 UFC/ml respectivamente sin diferencias significativas en los dos periodos. No se detectó Salmonella spp. ni E. coli O157/H7. No se observaron diferencias significativas en la frecuencia de presentación de Listeria sp., L. monocytogenes, Y. enterocolítica, Staphylococcus aureus y Staphylococcus coagulasa negativa entre los dos periodos de lluvia evaluados". Conclusiones. Se observó que el 80% de las muestras de leche analizadas en este estudio cumplen con los estándares de calidad higiénico-sanitaria y no se observó influencia de la época de muestreo sobre la calidad higiénica de la leche.
ABSTRACT Objective. The aim of this study is to evaluate the hygienic and sanitary quality of bovine milk from dairy farms of Nariño, Colombia by determining the presence of environmental microorganisms of public health importance such as Salmonella spp., Escherichia coli O157, Listeria monocytogenes, Staphylococcus aureus and Yersinia enterocolitica and to evaluate the impact that the rainy seasons have on milk quality Materials and methods. Milk samples were taken in 180 farms located in four natural subregions, both in the high rainfall season and in the low rainfall season. Mesophilic aerobic count, a somatic cell count by automated methods, and a total coliform count in 3M Petrifilm® plates were done to each milk sample. Detection of Salmonella spp., Escherichia coli O157:H7 and Listeria monocytogenes was done by the 3M MDS system, Staphylococcus aureus and Yersinia enterocolitica were isolated by conventional microbiology techniques. Results. The highest somatic cell counts were found during the high rain season. The median of the mesophilic, total coliform and somatic cell counts were 20,085 CFU/ml, 265 CFU/ml and 219,170 cells/ml, respectively, with no significant differences in the two rainy periods. Neither Salmonella spp. nor E. coli O157/H7 were detected. There was no significant difference among the presence of Listeria sp., L. monocytogenes, Y. enterocolitica, Staphylococcus aureus and coagulase negative Staphylococcus between the two rainy seasons. Conclusions. 80% of the milk samples met the hygienic and sanitary quality standards and no influence of the sampling period on the hygienic quality of the milk was observed.
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Las páginas web constituyen un medio facilitador del conocimiento. El trabajo se realizó con el objetivo de diseñar e implementar una biblioteca virtual para favorecer el proceso de gestión de la información del Departamento de Información Científica-Técnica y Biblioteca de la Facultad de Ciencias Médicas de Bayamo. Para el desarrollo del contenido del sitio se emplearon: observación, encuestas y entrevistas. Para desarrollar el producto se llevaron a cabo cinco procesos: planificación inicial del sitio, definición, diseño y estándares, puesta en marcha y plan de mantenimiento. Para la confección de la página se empleó el gestor de contenidos WordPress, así como PHP, MySQL, Apache, XAMPP y Windows como lenguaje de programación, motor de bases de datos, servidor Web, paquete de software libre y sistema operativo respectivamente. Se concluye que la implementación de la biblioteca virtual, facilita el proceso de gestión de la información, despierta el interés por la investigación y contribuye a la alfabetización informacional de los usuarios de salud que ingresen a la web. Facilitará la visibilidad, la gestión técnica bibliotecaria; la divulgación, difusión, y uso de los servicios y recursos de información disponibles.
Web pages constitute a means of facilitating knowledge. The work was carried out with the objective of designing and implementing a virtual library to favor the information management process of the Department of Scientific and Technical Information and the Library of the Faculty of Medical Sciences of Bayamo. Observation, surveys and interviews were used in the development of the content of the site. Five processes were carried out to develop the product: initial planning of the site, definition, design and standards, commissioning, and maintenance plan. To create the page, the content manager WordPress was used; PHP, MySQL, Apache, XAMPP and Windows were used as the programming language, database engine, Web server, free software package and operating system, respectively. It is concluded that the implementation of the virtual library facilitates the information management process, awakens the interest in research, and contributes to the information literacy of health users who enter the web. It will facilitate visibility, library technical management, disclosure, dissemination, and use of available information services and resources.
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INTRODUCTION: Species A rotavirus (RVA) infections are a major cause of severe gastroenteritis in children of <5 years worldwide. In Brazil, before vaccination, RVA was associated with 3.5 million episodes of acute diarrheal disease per year. Due to the segmented nature of their genomes, rotaviruses can exchange genes during co-infections, and generate new virus strains and new reinfections. OBJECTIVE: To evaluate the genomic diversity of RVA isolated in Brazil in 30 years, between 1986 to 2016, to investigate possible changes in the frequency of genotype constellations before and after the implementation of the vaccine. METHODS: In total, 4,474 nucleotide sequences were obtained from the Virus Variation Database. Genomic constellation was compared, and the proportion of rotavirus genotypes was analyzed by time and geographic region. RESULTS: Our results showed that major known genotypes were circulating in the country during the period under analysis, with a prevalence of the G1P[8] Wa-like genotype, decreasing only in the period immediately after the introduction of the vaccine. Regarding the geographical distribution, most of our constellations, 62 (39.2%), and 50 (31.6%) were concentrated in the North and Northeast regions. Our analysis also showed the circulation of multiple strains during the periods when the DS-1-like and AU-1-like genotypes were co-circulating with the Wa-like genotype. CONCLUSION: Therefore, it is likely that inter-genogroup reassortments are still occurring in Brazil and so it is important to establish an efficient surveillance system to follow the emergence of novel reassorted strains that might not be targeted by the vaccine.
INTRODUÇÃO: As infecções por rotavírus A (RVA) são uma das principais causas de gastroenterite grave em crianças <5 anos em todo o mundo. No Brasil, antes da vacinação, o RVA estava associado a 3,5 milhões de episódios de diarreia aguda por ano. Devido à natureza segmentada de seus genomas, os rotavírus podem trocar genes durante as coinfecções, gerar novas cepas de vírus e novas reinfecções. OBJETIVO: Avaliar a diversidade genômica de RVA isolados no Brasil entre 1986 a 2016 para investigar possíveis alterações na frequência das constelações de genótipos antes e após a implantação da vacina. MÉTODOS: No total, 4.474 sequências de nucleotídeos foram obtidas do Banco de Dados de Variação de Vírus. A constelação genômica foi comparada e a proporção dos genótipos de rotavírus foi analisada por tempo e região geográfica. RESULTADOS: Nossos resultados mostraram que os principais genótipos conhecidos circulavam no país no período em análise, com prevalência do genótipo G1P[8] Wa-like, diminuindo apenas no período imediatamente após a introdução da vacina. Em relação à distribuição geográfica, a maioria das nossas constelações, 62 (39,2%) e 50 (31,6%), concentrava-se nas regiões Norte e Nordeste. Nossa análise também mostrou a circulação de cepas múltiplas durante os períodos em que os genótipos DS-1-like e AU-1-like estavam co-circulando com o genótipo Wa-like. CONCLUSÃO: Portanto, é provável que rearranjos inter-genogrupos ainda estejam ocorrendo no Brasil e por isso é importante estabelecer um sistema de vigilância eficiente para acompanhar o surgimento de novas cepas rearranjadas que podem não ser protegidas pela vacina.
Subject(s)
Phylogeny , Gene Rearrangement , Genome , Rotavirus/genetics , Rotavirus VaccinesABSTRACT
Human genetic resources include specimen samples and related information. The application and regulation of human genetic resources in China started at the end of the 20th century and have progressed rapidly. However, many challenges remain. In this paper, we reviewed the current status of sample conservation and management and provided recommendations for further development of human genetic resources in China. The aim is to effectively protect and rationally utilize China's human genetic resources, safeguard national security and people's health, and promote the building of a community of common health for mankind.
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@#Objective To construct a single-chain fragment variable(scFv)phage display library against receptor-binding domain(RBD)of severe acute respiratory syndrome coronavirus 2(SARS-CoV-2)spike protein(S)to screen specific scFv and identify the function.Methods m RNA was extracted from spleen cells of mice immunized with RBD protein and reversely transcribed into c DNA,with which as template,genes of the hight chain fragment of variable(VH)and light chain fragment of variable(VL)of scFv were amplified and then assembled into scFv gene fragment through splicing overlap extension PCR(SOE-PCR).The scFv gene fragment was inserted to phage vector to construct scFv phage display library.After four rounds of biopanning,the scFv gene with strong binding ability to RBD was screened and expressed recombinantly,purified and identified for biological activity.Results The constructed scFv phage library showed a titer of 6.0×10(11)pfu/m L.After four rounds of biopanning,four scFv strains with strong binding to RBD were selected,namely scFv11,scFv12,scFv25and scFv28.scFv was mainly expressed in the form of inclusion body with a relative molecular mass of about 27 000,a concentration of 2.4 mg/m L and a purity of about 90%,which bound specifically to mouse monoclonal antibody against His labeled by HRP after purification.All four scFv strains bound specifically to RBD recombinant protein,among which the other 3 scFv strains bound to the S protein of wild type and multiple mutant strains except scFv28.All four strains showed dose-dependent interaction with RBD,with affinity dynamic fitting dissociation constants(K_Ds)8.9,5.92,10.67and 2.36 nmol/L,and steady-state fitting dissociation constants(K_Ds)of 5.3,6.5,8.7 and 5.8 nmol/L,respectively.scFv11,scFv12 and scFv25 simultaneously identified three independent RBD polypeptides,including RBD2(S(11)pfu/m L.After four rounds of biopanning,four scFv strains with strong binding to RBD were selected,namely scFv11,scFv12,scFv25and scFv28.scFv was mainly expressed in the form of inclusion body with a relative molecular mass of about 27 000,a concentration of 2.4 mg/m L and a purity of about 90%,which bound specifically to mouse monoclonal antibody against His labeled by HRP after purification.All four scFv strains bound specifically to RBD recombinant protein,among which the other 3 scFv strains bound to the S protein of wild type and multiple mutant strains except scFv28.All four strains showed dose-dependent interaction with RBD,with affinity dynamic fitting dissociation constants(K_Ds)8.9,5.92,10.67and 2.36 nmol/L,and steady-state fitting dissociation constants(K_Ds)of 5.3,6.5,8.7 and 5.8 nmol/L,respectively.scFv11,scFv12 and scFv25 simultaneously identified three independent RBD polypeptides,including RBD2(S(334~353)),RBD9(S(334~353)),RBD9(S(439~458))and RBD13(S(439~458))and RBD13(S(499~518)).Homologous model of scFv constructed by online server SWISS-MODEL showed a good quality and was used for molecular docking.The interface at which scFv11 interacted with RBD only partially coincided with the interaction interface of human angiotensin converting enzyme 2(ACE2)and RBD,and the interaction interfaces of scFv12 and scFv25 with RBD were quite different from that of ACE2.Conclusion In this study,scFv specifically bound to SARS-Co V-2 RBD was screened and prepared through constructing scFv phage library against SARS-CoV-2 RBD,which provided experimental basis for further development of anti-SARS-CoV-2 drugs and detection reagents.
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@#Screening potential active compounds from molecular libraries is a common method for drug discovery.However, with the continuous exploration of chemical space, there are already compound libraries with more than billions of molecules, so molecular docking is no longer enough to quickly screen specific target inhibitors from the ultra-large compound libraries.This study proposes a method for screening potential active compounds, which involves filtering and selecting compounds from a candidate compound library containing over 5.5 billion molecules through a series of steps, including calculating physical and chemical property similarities, constructing machine learning prediction models, and molecular docking.In the end, 51 compounds with potential ataxia telangiectasia-mutated and rad3-related (ATR) inhibitory activity were obtained.This method is effective for rapidly screening novel potential active compounds from large compound libraries.
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Purpose/Significance Based on the value co-creation theory,the paper analyzes the feasibility of user participation in library space reconstruction,and proposes a framework model of value co-creation for space service innovation in hospital library.Method/Process Combining theoretical analysis with practice,taking the library of Tongji Hospital Affiliated to Tongji Medical College,Huazhong University of Science and Technology as an example,the paper determines the points of library space reconstruction and identifies the focal users of the li-brary through the user demand survey and user spatial behavior analysis,then realizes user participation in the process of space reconstruction through the group interview.Result/Conclusion User participation is the basis of realizing the value co-creation of library space reconstruc-tion.Library realizes user participation by identifying user needs,enhancing user perceived value and innovating user participation forms.