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Structural-Based Virtual Screening of FDA-Approved Drugs Repository for NSP16 Inhibitors, Essential for SARS-COV-2 Invasion Into Host Cells: Elucidation From MM/PBSA Calculation
Bioinform Biol Insights. 2023 Jul 31;17:11779322231171777. doi: 10.1177/11779322231171777. eCollection 2023.ABSTRACTNSP16 is one of the structural proteins of the severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) necessary for its entrance to the host cells. It exhibits 2'O-methyl-transferase (2'O-MTase) activity of NSP16 using methyl group from S-adenosyl methionine (SAM) by methylating the 5-end of virally encoded mRNAs and shields viral RNA, and also controls its replication as well as infection. In the present study, we used in silico approaches of drug repurposing to target and inhibit the SAM binding site ...
Source: Bioinformatics and Biology Insights - August 3, 2023 Category: Bioinformatics Authors: Subodh Kumar Harvinder Singh Manisha Prajapat Phulen Sarma Anusuya Bhattacharyya Hardeep Kaur Gurjeet Kaur Nishant Shekhar Karanveer Kaushal Kalpna Kumari Seema Bansal Saniya Mahendiratta Arushi Chauhan Ashutosh Singh Rahul Soloman Singh Saurabh Sharma Pr Source Type: research

Antibacterial Activity of Economically Important Medicinal Plants in Pakistan Against Different Bacterial Strains
The objective of this study was the evaluation of the antibacterial effect of economically important medicinal plants found in Pakistan. Onosma bracteatum (flowers and leaves), Viola odorata (flowers and leaves), Cuscuta reflexa (whole plant), Swertia chirata (whole plant), and Fagonia arabica (whole plant) were used against Bacillus subtilis, Escherichia coli, and Pseudomonas aeruginosa. Water and ethanol extracts were obtained from different parts of the plants. To evaluate the antibacterial effect of these plants, qualitative assay agar well diffusion method was performed. The minimum inhibitory concentration (MIC) was ...
Source: Bioinformatics and Biology Insights - August 3, 2023 Category: Bioinformatics Authors: Adil Ali Muhammad Ali Zonaira Nisar Syed Muhammad Ali Shah Imtiaz Mustafa Jaweria Nisar Rizwan Asif Source Type: research

Insights into Omicron's Low Fusogenicity through < em > In Silico < /em > Molecular Studies on Spike-Furin Interactions
Bioinform Biol Insights. 2023 Jul 28;17:11779322231189371. doi: 10.1177/11779322231189371. eCollection 2023.ABSTRACTThe Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) Omicron variant and its subvariants have a unique set of mutations. Two of those mutations (N679 K and P681 H) reside close to the S1 /S2 furin cleavage site (FCS; 685-686). When these mutations reside together, they exert less-efficient membrane fusion than wild type and most other variants of concern such as the Delta variant. Here, we in silico targeted these mutations to find out which of the amino acids and interactions change plays the key...
Source: Bioinformatics and Biology Insights - August 2, 2023 Category: Bioinformatics Authors: Spencer Mark Mondol Md Hasib Md Belayet Hasan Limon A S M Rubayet Ul Alam Source Type: research

Identification and Interaction Analysis of Molecular Markers in Pancreatic Ductal Adenocarcinoma by Bioinformatics and Next-Generation Sequencing Data Analysis
CONCLUSIONS: On the whole, the findings of this investigation enhance our understanding of the potential molecular mechanisms of PDAC and provide potential targets for further investigation.PMID:37529485 | PMC:PMC10387711 | DOI:10.1177/11779322231186719 (Source: Bioinformatics and Biology Insights)
Source: Bioinformatics and Biology Insights - August 2, 2023 Category: Bioinformatics Authors: Muttanagouda Giriyappagoudar Basavaraj Vastrad Rajeshwari Horakeri Chanabasayya Vastrad Source Type: research

SARS-CoV-2 Spike Protein Mutations in Different Variants: A Comparison Between Vaccinated and Unvaccinated Population in Western Amazonia
In conclusion, the study showed a temporal increase in mutations and subvariants for characterized strains. Furthermore, the vaccination profile did not impact significant changes in the mutational profile yet remains a determining factor for severe disease.PMID:37461740 | PMC:PMC10350575 | DOI:10.1177/11779322231186477 (Source: Bioinformatics and Biology Insights)
Source: Bioinformatics and Biology Insights - July 18, 2023 Category: Bioinformatics Authors: Gabriella Sgorlon T árcio Peixoto Roca Ana Maisa Passos-Silva M árlon Grégori Flores Custódio Jackson Alves da Silva Queiroz Andr é Luiz Ferreira da Silva Karolaine Santos Teixeira Fl ávia Serrano Batista Juan Miguel Villalobos Salcedo Rita de Cassi Source Type: research

Molecular Biomarker Identification Using a Network-Based Bioinformatics Approach That Links COVID-19 With Smoking
Bioinform Biol Insights. 2023 Jul 14;17:11779322231186481. doi: 10.1177/11779322231186481. eCollection 2023.ABSTRACTThe COVID-19 coronavirus, which primarily affects the lungs, is the source of the disease known as SARS-CoV-2. According to "Smoking and COVID-19: a scoping review," about 32% of smokers had a severe case of COVID-19 pneumonia at their admission time and 15% of non-smokers had this case of COVID-19 pneumonia. We were able to determine which genes were expressed differently in each group by comparing the expression of gene transcriptomic datasets of COVID-19 patients, smokers, and healthy controls. In all, 37 ...
Source: Bioinformatics and Biology Insights - July 18, 2023 Category: Bioinformatics Authors: Md Anisur Rahman Md Al Amin Most Nilufa Yeasmin Md Zahidul Islam Source Type: research