Now nCOVID-19 has a foothold in many countries, and the threat of a pandemic situation has risen. Recently a novel coronavirus (nCOVID-19) has first emerged in China, causing multiple symptoms in humans and closely related to those caused by SARS (Severe Acute Respiratory Syndrome) and MERS (Middle East Respiratory Syndrome). The nCOVID-19 has reported in Wuhan city of China has recently infected over six million people and at least 0.4 million confirmed deaths all over the world, while 2.8 million people has recovered from this deadly virus. Many instances of this respiratory syndrome coronavirus infection have already reported in more than 216 countries and territories. In contrast, the majority of cases reported in the USA, Brazil, Russia, Spain, UK, Italy, France and many more countries. In today's context, the coronavirus is one of the significant issues faced by the world with plenty of cases. In these circumstances, rapid reviews which recommended by WHO (World Health Organization), and these recommendations are very significant, helpful and cover current data with different preventive measures developed by the Saudi CDC (Saudi Centre for Disease Prevention and Control). This review article describes the possible modes of transmission so that proper preventive actions should be taking. Importantly, this work mentioned the animal reservoir through which may infect humans, and it must be identified to break the transmission chain. In additions, this review paper briefly discussed the spread of the coronavirus in the Arabian Peninsula and what precaution measures are in place by each country to limit the spreading of this virus. Finally, since the number of infected people specifically those with close contact with nCOVID-19 patients is increasing daily and appears unstoppable, we used the preventive measures by pharmacists as part of health care professions.

In the search for a new anti-MRSA lead compound, emodin was identified as a good lead against methicillin-resistant Staphylococcus aureus (MRSA). Emodin serves as a new scaffold to design novel and effective anti-MRSA agents. Because rational drug discovery is limited by the knowledge of the drug target, α-hemolysin of Staphylococcus aureus was used in this study because it has an essential role in Staphylococcus infections and because emodin shares structural features with compounds that target this enzyme. In order to explore emodin’s interactions with α-hemolysin, all possible ligand binding pockets were identified and investigated. Two ligand pockets were detected based on bound ligands and other reports. The third pocket was identified as a cryptic site after molecular dynamics (MD) simulations. MD simulations were conducted for emodin in each pocket to identify the most plausible ligand site and to aid in the design of potent anti-MRSA agents. Binding of emodin to site 1 was most stable (RMSD changes within 1 Å), while in site 2, the binding pose of emodin fluctuated, and it left after 20 ns. In site 3, it was stable during the first 50 ns, and then it started to move out of the binding site. Site 1 is a possible ligand binding pocket, and this study sheds more light on interaction types, binding mode, and key amino acids involved in ligand binding essential for better lead design. Emodin showed an IC₅₀ value of 6.3 μg/mL, while 1, 6, and 8 triacetyl emodin showed no activity against MRSA. A molecular modeling study was pursued to better understand effective binding requirements for a lead.

Burkholderia anthina is a pathogenic bacterial species belonging to the Burkholderiaceae family and it is mainly considered the etiological agent of chronic obstructive pulmonary diseases associated with cystic fibrosis, due to being intrinsic antibiotic resistant making it difficult to treat pulmonary infections. Hence increased rate of antibiotic-resistant bacterial species vaccine development is the priority to tackle this problem. In research work, we designed a multi-epitope-based vaccine construct against B. anthina using reverse vaccinology immunoinformatics and biophysical approaches. Based on the subtractive proteomic screening of core proteins we identified 3 probable antigenic proteins and good vaccine targets namely, type VI secretion system tube protein hcp Burkholderia, fimbria/pilus periplasmic chaperone and fimbrial biogenesis outer membrane usher protein. The selected 3 proteins were used for B and B cells B-derived T-cell epitopes prediction. In epitopes prediction, different epitopes were predicted with various lengths and percentile scores and subjected to further immunoinformatics analysis. In immunoinformatics screening a total number of 06, IDDGNANAL, KTVKPDPRY, SEVESGSAP, YGGDLTVEV, SVSHDTNGR, and GSKADGYQR epitopes were considered good vaccine target candidates and shortlisted for vaccine construct designing. The vaccine construct was designed by joining selected epitopes with the help of a GPGPG linker and additionally linked with cholera toxin b subunit adjuvant to increase the efficacy of the vaccine construct the sequence of the said adjuvant were retrieved from protein data bank through its (PDB ID: 5ELD). The designed vaccine construct was evaluated for its physiochemical properties analysis in which we reported that the vaccine construct comprises 216 amino acids with a molecular weight of 22.37499 kilo Dalton, 15.55 instability index (II) is computed, and this classifies that the vaccine construct is properly stable. VaxiJen v2.0 web server predicted that the vaccine construct is probable antigenic in nature with 0.6320 predicted value. Furthermore AllerTOP v. 2.0 tool predicted that the designed vaccine construct is non allergic in nature. Molecular docking analysis was done for analysis of the binding affinity of the vaccine construct with TLR-2 (PDB ID: 6NIG), the docking results predicted 799.2 kcal/mol binding energy score that represents the vaccine construct has a good binding ability with TLR-2. Moreover, molecular dynamic simulation analysis results revealed that the vaccine construct and immune cell receptor has proper binding stability over various environmental condition, i.e. change in pressure range, temperature, and motion. After each analysis, we observed that the vaccine construct is safe stable, and probably antigenic and could generate an immune response against the target pathogen but in the future, experimental analysis is still needed to verify in silico base results.

Human metapneumovirus (HMPV) is a respiratory viral pathogen classified within the Paramyxoviridae family and is a significant cause of acute respiratory tract infections. The vaccine construct maintains stable binding affinity with targeted receptors anaffects young children, the elderly, and immunocompromised individuals. HMPV was recognized initially in 2001. HMPV exhibits characteristics similar to respiratory syncytial virus (RSV) and generally causes symptoms ranging from mild, cold-like signs to more severe issues such as pneumonia and bronchiolitis. This study employs reverse vaccinology and bioinformatics approaches to screen potential vaccine targets and design epitope vaccine constructs. Following immunoinformatics analysis, six proteins, including >YP_009513265.1 nucleoprotein, >YP_009513266.1 phosphoprotein, >YP_009513268.1 fusion protein, >YP_009513269.1 matrix protein 2–1, >YP_009513272.1 attachment glycoprotein, and >YP_009513273.1 RNA-dependent RNA polymerase, were selected for further analysis. These proteins underwent B-cell epitope prediction, and the identified B-cell epitopes were used in T cell epitope prediction. Both MHC-I and MHC-II epitopes were predicted, with lower percentile scores prioritized. The selected epitopes- SLGKIKNNK, IPQNQRPSA, IPSEPKLAW, FPEDQNVAL, KLKNKNRLR, ELSSIKTRR, and QEKKLVPVY- were further screened through immunoinformatics analysis. These epitopes were connected with a GPGPG linker to form a linear sequence, and an EAAAK linker was used to attach the adjuvant to this sequence, which was then processed for structural modeling. Effective vaccines must bind to receptors on immune cells to activate the immune system. The vaccine-TLR-4 docked complex, predicted using Cluspro 2. 2.0 web server, showed that cluster 4 had the lowest binding energy score of − 1175. 3, indicating potential effectiveness in eliciting an immune response via TLR-4 activation. Similarly, for the vaccine- MHC-I complex, cluster 2 exhibited the lowest energy score of − 1087. 4 kcal/mol, suggesting a stable binding interaction. For the vaccine-MHC-II complex, cluster 2 showed the most stable binding with a lowest energy score of − 1189. 1 kcal/mol. To validate these docking results, molecular dynamics simulations analyze the stability of the complexes. The RMSD from the simulations indicated that the vaccine- MHC-I complex stabilized around 10 to 12 (Å). The vaccine-MHC-II complex stabilized after 60 ns, while the vaccine-TLR-4 complex initially showed a lower RMSD of approximately 5 (Å), which gradually increased to 12–15 (Å), reflecting conformational stability and binding affinity. In addition, in silico immune simulations suggested activation of both humoral and cellular immunity, indicating that the vaccine construct could effectively induce immune responses against HMPV.

A huge number of date varieties grow annually throughout the world. The genetic variation between different date varieties is reflected in their variable sensory characters and phytochemical contents. Date pits are considered a waste product of the date industry, despite their rich metabolic content. The present study attempts to generate visual clustering to clarify the diversity among fourteen date cultivars growing in the Qassim region, according to the phytochemical contents and biological potentials of their pits. The results indicated a wide variation in the total phenolic content (11.4–29.7 mg GAE/g), flavonoids content (21.9–37.1 mg RE/g), proanthocyanidine content (12.0–207.0 mg CE/g), and antioxidant potential (10.3–25.5 mg AEAC/g) among the tested cultivars. Screening the antimicrobial activity of extracts from the 14 tested cultivars indicated different activities against Listeria monocytogenes, Staphylococcus aureus, Escherichia coli, Salmonella enterica, and Candida albicans. Multivariate analysis of phytochemical content and biological activity, using different analytical models, allowed the classification of the 14 cultivars into four classes, Class-1: Barhi, Safawi, and Sukkari; Class-2: Khodry and Nabtat Ali; Class-3: Ruthana, Segae, Shaqra, and Sheishee; and Class-4: Hulwa Aljouf, Mabroom, Meneifi, Rushodia, and Wannana. These findings provide a scientific basis for the classification of date pits which facilitates the future selection of promising candidates for more phytochemical and biological exploration.