Recently, multifunctional fish peptides (FWPs) have gained a lot of attention because of their different biological activities. In the present study, three angiotensin-I converting enzyme (ACE-I) inhibitory peptides [Ala-Pro-Asp-Gly (APDG), Pro-Thr-Arg (PTR), and Ala-Asp (AD)] were isolated and characterized from ribbonfish protein hydrolysate (RFPH) and described their mechanism of action on ACE activity. As per the results, peptide PTR showed ≈ 2 and 2.5-fold higher enzyme inhibitory activity (IC 50 = 0.643 ± 0.0011 μM) than APDG (IC 50 = 1.061 ± 0.0127 μM) and AD (IC 50 = 2.046 ± 0.0130 μM). Based on experimental evidence, peptides were used for in silico analysis to check the inhibitory activity of the main protease (PDB: 7BQY) of SARS-CoV-2. The results of the study reveal that PTR (À46.16 kcal/mol) showed higher binding affinity than APDG (À36.80 kcal/mol) and AD (À30.24 kcal/mol) compared with remdesivir (À30.64 kcal/mol). Additionally, physicochemical characteristics of all the isolated peptides exhibited appropriate pharmacological properties and were found to be nontoxic. Besides, 20 ns molecular dynamic simulation study confirms the rigid nature, fewer confirmation variations, and binding stiffness of the peptide PTR with the main protease of SARS-CoV-2. Therefore, the present study strongly suggested that PTR is the perfect substrate for inhibiting the main protease of SARS-CoV-2 through the in silico study, and this potential drug candidate may promote the researcher for future wet lab experiments.

A novel series of benzothiazole-rhodanine derivatives (A1-A10) were designed and synthesized, with the aim of developing possible antidiabetic agents and the spectral characterization of these compounds was done using infrared spectroscopy (IR), proton-nuclear magnetic resonance ( 1 H-NMR), carbon-nuclear magnetic resonance (C 13 -NMR), and high resolution mass spectroscopy (HR-MS) techniques. In vitro hypoglycemic potential of the compounds was evaluated by performing α-amylase and α-glucosidase enzyme inhibitory assays. In addition, these compounds were subjected to in silico analysis. Based on the results, compounds A5, A6, and A9 displayed good activity in comparison with the standard acarbose. Based on Lineweaver-Burk plots, it was concluded that compounds A5 and A9 displayed competitive type of enzyme inhibition. Molecular dynamic simulations were conducted to evaluate the stability of the ligand-protein complex by the calculation of the root mean square deviation, root means square fluctuation, and solvent accessible surface area.diabetes mellitus, in silico analysis, molecular dynamics, pharmacophore, rhodanines | INTRODUCTIONDiabetes mellitus (DM) is a chronic metabolic disorder that causes a significant challenge for the healthcare system across the globe. Such a high prevalence of diabetes has boosted the search for novel alternatives. Owing to high blood glucose in diabetes, a series of complications such as blindness, high blood pressure, kidney, and stroke disorders may result. 1 Diabetes was anticipated to affect 415 million people in 2015, with type 2 diabetes (T2DM) accounting for more than 90% of cases, with the number expected to rise to 642 million by 2040. For controlling glycemia, there has been a development of a few synthetic drugs such as acarbose, metformin, and sitagliptin. However, many side effects have been resulted due to the consumption of these drugs, such as flatulence, diarrhea, and hypoglycemia. It is well-known that postprandial hyperglycemia is an important contributing factor to the progression of T2DM, therefore, postprandial management of hyperglycemia is one of the therapeutic approaches to combating T2DM diabetes. α-amylase and α-glucosidase are the two main carbohydrate digestive enzymes associated with postprandial hyperglycemia in T2DM patients. The alpha-1, 4-glycosidic bond

As compared to standard medicinal compounds, hybrid molecules that contain multiple biologically active functional groups have greater affinity and efficiency.

In terms of human mortality, cardiac diseases have a higher mortality rate than cancer. Along with mortality rates, cancer morbidity also paints a rather bleak picture. Management of cancer continues to be a difficult task despite advancements in treatment modalities. Cytotoxicity is one of the key indicators in in vitro biological evaluations. Cytotoxic drugs have been shown to, among other things, disrupt cell membranes, inhibit protein synthesis, and bind receptors irreversibly in vitro. A number of short-term cytotoxic effects and cell proliferation assays have been created and used to identify cell death brought on by these insults. Among the in vivo models that have been developed are those that mimic chemical carcinogenesis and xenografts for human malignancies. The current in-vitro and animal models used in the development and evaluation of the therapeutic efficacy of anti-cancer drugs are covered in this article

Cancer causes the second highest mortality rate after the cardiac diseases in humans. In addition to death rates, cancer morbidity paints a rather grim picture. Despite the advances in treatment modalities, cancer management still remains as a challenging task. In vitro biological evaluations use cytotoxicity as one of the most essential indications. In vitro, cytotoxic drugs cause cell membrane disintegration, protein synthesis inhibition, and irreversible receptor binding, among other things. To identify cell death caused by these insults, a number of short-term cytotoxic effects and cell proliferation assays have been developed and employed. Chemical carcinogenesis and xenograft models for imitating human malignancies are among the in vivo models that have been developed. This article discusses the current in-vitro and animal models used in the discovery and therapeutic efficacy assessment of anti-cancer drugs.