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Human and animal health is threatened by Hendra virus (HeV), which has few treatments. This in-silico vaccine design study focuses on HeV G (glycoprotein), F (fusion protein), and M (matrix protein). These proteins were computationally assessed for B and T-cell epitopes after considering HeV strain conservation, immunogenicity, and antigenicity. To improve vaccination immunogenicity, these epitopes were selectively ligated into a multiepitope construct. To improve vaccination longevity and immunological response, adjuvants and linkers were ligated. G, F, and M epitopes were used to create an mRNA HeV vaccine. Cytotoxic, helper, and linear B-lymphocytes' epitopes are targeted by this vaccine. The population coverage analysis demonstrates that multi-epitope vaccination covers 91.81 percent of CTL and 98.55 percent of HTL epitopes worldwide. GRAVY evaluated the vaccine's well-characterized physicochemical properties -0.503, indicating solubility and functional stability. Structure analysis showed well-stabilized 2° and 3° structures in the vaccine, with alpha helix, beta sheet, and coil structures (Ramachandran score of 88.5% and Z score of -3.44). There was a strong affinity as shown by docking tests with TLR-4 (central score of -1139.4 KJ/mol) and TLR-2 (center score of -1277.9 KJ/mol). The coupled V-apo, V-TLR2, and V-TLR4 complexes were tested for binding using molecular dynamics simulation where extremely stable complexes were found. The predicted mRNA structures provided significant stability. Codon optimization for Escherichia. coli synthesis allowed the vaccine to attain a GC content of 46.83% and a CAI score of 1.0, which supports its significant expression. Immunological simulations indicated vaccine-induced innate and adaptive immune reactions. Finally, this potential HeV vaccine needs more studies to prove its efficacy and safety. [ABSTRACT FROM AUTHOR]

The filarial worms of Wuchereria bancrofti are the primary cause of lymphatic filariasis (LF), a mosquito-borne disease among the neglected tropical parasitic diseases. Considering the global endemic consequences of the disease, there is a need to develop a successful vaccine candidate against LF. Using advanced immunoinformatics approaches, we designed two multiepitope vaccines targeting W. bancrofti's glutathione S-transferase and thioredoxin. Therefore, we predicted several MHC-1, MHC-2, and B-cell epitopes from these proteins and mapped two vaccine candidates (V1 and V2). The vaccines were subsequently employed for physicochemical analysis, structural prediction and validation, docking and normal mode analysis, codon optimization, and immune simulation. The selected MHC-1, MHC-2, and B-cell epitopes were antigenic without allergenicity or toxicity. The designed vaccines were expected to be soluble, stable proteins under physiological conditions. Compared to V2, V1's secondary and tertiary structures were simultaneously favorable, with Ramachandran plot analysis revealing 95.6% residues in favored areas. Subsequently, the molecular docking analysis indicated that the V1 had a high binding affinity for the TLR-2, TLR-4 and TLR-5, as suggested by the docking scores of -1248.7, -1038.5 and -1562.8, respectively. The NMA of these complexes further indicated their structural flexibility. Molecular dynamics simulations of V1-TLR complexes revealed V1-TLR-4 as the most stable, with the lowest free energy and minimal fluctuations, indicating the strongest binding affinity. The results of the codon optimization showed high levels of expression, with a favorable CAI score (<1.0). A three-dose vaccination analysis showed significant and persistent immunological responses, including adaptive and innate immune responses. The findings emphasize the potential of the V1 against W. bancrofti, but further validation is required through in vitro, in vivo, and clinical trials. [ABSTRACT FROM AUTHOR]

Multi-junction solar cells are vital in developing reliable, green, sustainable solar cells. Consequently, the computational optimization of solar cell architecture has the potential to profoundly expedite the process of discovering high-efficiency solar cells. Copper indium gallium selenide (CIGS)-based solar cells exhibit substantial performance compared to those utilizing cadmium sulfide (CdS). Likewise, CIGS-based devices are more efficient according to their device performance, environmentally benign nature, and thus, reduced cost. Therefore, the paper introduces an optimization process of three-layered n-CdS/p-CIGS/p-GaAs (NPP)) solar cell architecture based on thickness and carrier charge density. An in-depth investigation of the numerical analysis for homojunction PPN-junction with the 'GaAs' layer structure along with n-ZnO front contact was simulated using the Solar Cells Capacitance Simulator (SCAPS-1D) software. Subsequently, various computational optimization techniques for evaluating the effect of the thickness and the carrier density on the performance of the PPN layer on solar cell architecture were examined. The electronic characteristics by adding the GaAs layer on the top of the conventional (PN) junction further led to optimized values of the power conversion efficiency (PCE), open-circuit voltage (VOC), fill factor (FF), and short-circuit current density (JSC) of the solar cell. Lastly, the paper concludes by highlighting the most promising results of our study, showcasing the impact of adding the GaAs layer. Hence, using the optimized values from the analysis, thickness of 5 (μm) and carrier density of 1 × 10 20 (1/cm) resulted in the maximum PCE, VOC, FF, and JSC of 45.7%, 1.16 V, 89.52%, and 43.88 (mA / m 2) , respectively, for the proposed solar cell architecture. The outcomes of the study aim to pave the path for highly efficient, optimized, and robust multi-junction solar cells. [ABSTRACT FROM AUTHOR]