Diabetes mellitus (DM) is a metabolic disease caused by improper insulin secretion leading to hyperglycemia. Syzygium cumini has excellent therapeutic properties due to its high levels of phytochemicals. The current research aimed to evaluate the anti-diabetic potential of S. cumini plant’s seeds and the top two phytochemicals (kaempferol and gallic acid) were selected for further analysis. These phytochemicals were selected via computational tools and evaluated for α-Glucosidase inhibitory activity via enzymatic assay. Gallic acid (IC₅₀ 0.37 µM) and kaempferol (IC₅₀ 0.87 µM) have shown a stronger α-glucosidase inhibitory capacity than acarbose (5.26 µM). In addition, these phytochemicals demonstrated the highest binding energy, hydrogen bonding, protein–ligand interaction and the best MD simulation results at 100 ns compared to acarbose. Furthermore, the ADMET properties of gallic acid and kaempferol also fulfilled the safety criteria. Thus, it was concluded that S. cumini could potentially be used to treat DM. The potential bioactive molecules identified in this study (kaempferol and gallic acid) may be used as lead drugs against diabetes.

Recent studies have demonstrated that cancer cells can elude immune cells by creating a sanctuary within the tumor’s microenvironment. Large amounts of immune-suppressing signaling proteins can be expressed by cancer cells. One of the most important mechanisms in this system is immune suppression caused by tumors and the modulation of the immune checkpoint. The immune checkpoint is modulated by both the programmed cell death protein 1 (PD-1) and its ligands, programmed death ligand 1 (PD-L1) and PD-L2. Non-coding RNAs (ncRNA), including the more well-known microRNAs (miRNAs), long non-coding RNAs (lncRNAs), and circular RNAs (circRNAs), all play roles in the regulation of biological processes and extensive diseases such as cancer. Thus, the focus of this study is on the interactions between the programmed death protein and its ligands with miRNAs, lncRNAs, and circRNAs during tumorigenesis and tumor progression. Furthermore, some FDA-approved drugs for the treatment of various cancers were based on their interactions with PD-1, PD-Ls, and ncRNAs. This promising strategy is still in the production stages, with additional results and clinical trials being processed.

Heart failure (also known as HF) is a clinical disorder triggered by functional and structural defects in cardiac muscles causing blood ejection or damage of ventricular filling. Even though the progression in the field of medicine, HF control, which generally presents as a syndrome, has been a task to healthcare sources. This is reproduced by the comparatively higher ration of readmissions with enhanced disease and death linked with HF. Congestive heart failure is also linked with expressional changes of human uncoupling protein proteins. So, we need to tackle the heart failure problem with the help of bioinformatics analysis. In this study, we retrieved three antimicrobial peptides (Cathelicidins, CRAMP and Uncyclotides) and four human uncoupling proteins (UCP 1, UCP 2, UCP 3 & UCP 4) from DRAMP and NCBI web server. Physiochemical properties and domains analysis of UCPs and antimicrobial peptides was performed by using Protparam, DRAMP and InterPro databases correspondingly. To predict the UCPs structure, homology modelling was performed by SWISS-MODEL server and structural assessment was done by Ramachandran plots. We detected the best antimicrobial peptide (Uncyclotides) against heart failure diseases after HPEPDOCK analysis. We also confirmed stability of UCP 1-Uncyclotides complex, and shown the slight distortion of the deformability plot supported by highest eigenvalues after Molecular Dynamics analysis. Therefore, this in silico approach identifies potential antimicrobial peptides “Uncyclotides” (acts as inhibitors) of heart failure diseases, which have to be confirmed further after experimental and clinical trials.