Inhibiting the main proteasome of severe acute respiratory syndrome–coronavirus 2 (SARS-CoV-2) may serve as a treatment option for patients suffering from COVID-19. Inhibition of the main proteasome (SARS-CoV-2 Mpro) may improve patient outcomes and recovery through blocking viral replication and assembly.
A literature review of potential drug treatments for COVID-19 included Nelfinavir, an HIV antiviral, and Epirubicin, an anthracycline and topoisomerase inhibitor. The mechanism of action for both drugs includes binding to SARS-CoV-2 Mpro.
These data highlight in-silico binding pose energy predictions of SARS-CoV-2 Mpro (receptor) each of the two drug targets (ligands) using a Generic Evolutionary Method for Molecular Docking (iGEMDOCK). In-silico screening provides highly accurate, reproducible complex-ligand binding affinity prediction data. These data are derived from a population size of 200 and 70 docking generation trials.
The 3-D Protein Data Bank (PDB) structure of the main proteasome (SARS-CoV-2 Mpro) for this investigation was derived from the RCSB Protein Data Bank (PDB ID: 6LU7). The 3-D structures of Nelfinavir and Epirubicin were derived from the PubChem database (PubChem CIDs 64143, 41867 respectively). The 3-D structures were converted from 3D conformer SDF files to Protein Data Bank (PDB) formatting through OpenBabble.
The data show Nelfinavir as outcompeting Epirubicin in binding to the main proteasome (SARS-CoV-2 Mpro). The complex formation with Nelfinavir was more energetically favorable than that with Epirubicin. The data include relevant binding site residues and energy values, in units of kcal/mol. A composite of van der Waals forces, hydrogen bonding, and electrostatic charge provide the energy values.
Contributors:Thamis Fernandes Santana, Rebeca Hannah Oliveira, Ludmila Evangelista dos Santos, Eunice Paloma Nascimento Lima, sylvia faria, Marcos Augusto Moutinho Fonseca, Jaqueline da Silva, José Carlos Tatmatsu-Rocha, Marília Forte Gomes, Mário Fabricio Fleury Rosa, Suelia Siqueira Rodrigues Fleury Rosa, Marcella Carneiro
Raw data used in the article "Physical and chemical properties of natural latex biomembranes associated with phototherapy designed for healing diabetic foot ulcers".
We performed physical and chemical tests to evaluate the membranes: Tensile Strength Test, Thermogravimetric Analysis, Wettability Assay and Fourier-transform infrared spectroscopy.
Non-cooperative Game in Block Bidding Markets Considering Demand Response
Programs and data are contained in the Programs folder. Please execute loaddata.m before executing any other programs.
The data format and content is described in loaddata.mat
mydisDatacenter2.m is the overall distributed iterative algorithm. You can execute loaddata.m, then execute mydisDatacenter2.m to obtain the optimal solution.
The Journal of Tourism and Creativity (JTC) is purely bring a new insight on tourism. Especially on tourism policy, creative tourism, sustainable tourism, tourism management and organization, travel and tourism, leisure and recreation. And other diciplines, such as sociology of tourism, anthropology of tourism, psychology of tourism, law tourism, technology and information of tourism, geography of tourism, tourism education. It also encompases of any applied tourism, such as marine tourism, eco tourism, tourism empowernment of local community, man made tourism, agrotourism, etc.
Contributors:Silvia Rueda Pascual, Jose Ignacio Panach, Damiano Distante
Next we describe each variable:
-Team: Id of the team (experimental unit)
-Number of functional requirements
-Number of non-functional requirements
-Number of functional requirements + non-functional requirements
-Time to prepare the interview
-Time in the interview
-Time to prepare the requirements document
-Number of questions
-Number of relevant questions
-Efficiency (quality time ratio)
-Treatment: among unstructured interviews, JAD and Prototyping
-Replication: id of each repication
To evaluate the effectiveness and efficiency of the PBL-CBL combined teaching in thyroid surgery and observe from the students’ perspective and satisfaction in the learning process.
We enrolled the fourth-year students majoring in clinical medicine and residents from September 2014 to June 2019. These participants were randomly allocated into either the PBL-CBL combined teaching group or the traditional lecture-based classroom group to attend course on the chapter of thyroid nodules. Both pre-class and post-class quizzes were conducted. The same anonymous questionnaire to evaluate their perception and experience were also required.
Results: The pre-class quiz score in the Traditional group was significantly higher than that in the PBL-CBL group (P＜0.001). After class, in the PBL-CBL group, the mean total quiz score, basic knowledge score and case analysis score significantly increased respectively(P＜0.001). The performance improvement of the PBL-CBL group was significantly higher than that of the Traditional group (from 52.76 to 67.51 vs. from 67.03 to 71.97).The scores of learning motivation, understanding, student-teacher interaction, final examination, communication skills, clinical thinking skills, self-learning skills, teamwork skills and knowledge absorption in the surveys were significantly higher in the PBL-CBL group than in the Traditional group (P＜0.001). Meanwhile, the score of free time consumed in the surveys were significantly lower in the PBL-CBL group than in the Traditional group (P＜0.001).
Conclusions: PBL combined with CBL is an effective method for medical students and residents to improve their performance and enhance clinical skills.
.The standards obtained by different text book about different Particles and Energy are different in different units. Like:- Mass value of Neutron 1.6749 x 10^-27 Kg. Proton mass 1.672623 x 10^-27 Kg, electron mass 9.109390 x 10^-31 Kg, Atomic mass 1.66050 x 10^-27 Kg in amu Unit, Neutron mass1.008664 u, Proton mass 1007276 u. electron mass 0.0005458 u. As per, e = mC^2 one energy 1.6021766 x 10^-34 Joule. Equivalent mass 1.782662 x 10^-36 Kg.
There was a lot of curiosity in the quality of the same mass, same energy its answers and the strong desire to know the secrets of those numbers, digits, values.
Then I went to find their relationship and saw the relationship between the values and numbers and digit obtained from all these units, and without unit.
Find same value either quantity, or almost same number digit from these used Units and without Units, without power with power. For example 1.6021766 x 10^-34 Joule = 1.6021766 Unit. Energy 1.782662 x 10^-36 Kg. = 1.782662 Unit mass like this.
I found the hadith of the original and prime, or root of numbers/digits in them. If the same result is found again and again and in different ways, then in the language of science it is considered as evidence. From this belief I have tried to present all those calculations in each article. It seemed my duty to tell everyone about it,
Then in each article I have tried to describe each step as briefly as possible. Although I have to admit, I don't know how successful this effort has been with my little knowledge.
In some cases, the change of language and the rules of writing in scientific terms have caused problems,
So I have tried to make it suitable for all types of readers to understand easily.
This article discusses the value of mass in each color’s light, and the value and origin of the digit and what their weight and mass might be.