Computational insights for predicting the binding and selectivity of peptidomimetic plasmepsin IV inhibitors against cathepsin D.

Plasmepsins (Plms) are aspartic proteases involved in the degradation of human hemoglobin by and are essential for the survival and growth of the parasite. Therefore, Plm enzymes are reported as an important antimalarial drug target. Herein, we have applied molecular docking, molecular dynamics (MD) simulations, and binding free energy with the Linear Interaction Energy (LIE) approach to investigate the binding of peptidomimetic PlmIV inhibitors with a particular focus on understanding their selectivity against the human Asp protease cathepsin D (CatD).

Antibiotic-Derived Radiotracers for Positron Emission Tomography: Nuclear or "Unclear" Infection Imaging?

The excellent features of non-invasive molecular imaging, its progressive technology (real-time, whole-body imaging and quantification), and global impact by a growing infrastructure for positron emission tomography (PET) scanners are encouraging prospects to investigate new concepts, which could transform clinical care of complex infectious diseases. Researchers are aiming towards the extension beyond the routinely available radiopharmaceuticals and are looking for more effective tools that interact directly with causative pathogens. We reviewed and critically evaluated (challenges or pitfalls) antibiotic-derived PET radiopharmaceutical development efforts aimed at infection imaging.

The development of a sub/supercritical fluid chromatography based purification method for peptides.

Peptide drugs are essential components of the pharmaceutical industry with a multiplicity of therapeutic properties, such as being anti-hypertensive, anti-microbial, anti-diabetic, and having anti-cancer potential. These molecules are similar in physiological structure and function to the body's endogenous signalling molecules and are therefore ideal candidates for the development of the next-generation of drugs. However, the purification of these peptides can be problematic due to poor solubility and stability, which often results in low peptide yields.

Sub/supercritical fluid chromatography employing water-rich modifier enables the purification of biosynthesized human insulin.

There is a paucity of knowledge surrounding the SFC purification of human insulin. The current conventional method of insulin purification involves traditional RP-HPLC that utilises copious amounts of toxic solvents. In this study, we envisaged the development of an environmentally friendly SFC method for biosynthesized human insulin purification.

Modelling in the Development of Novel Radiolabelled Peptide Probes.

This review describes the usefulness of in silico design approaches in the design of new radiopharmaceuticals, especially peptide-based radiotracers (including peptidomimetics). Although not part of the standard arsenal utilized during radiopharmaceutical design, the use of in silico strategies is steadily increasing in the field of radiochemistry as it contributes to a more rational and scientific approach. The development of new peptide-based radiopharmaceuticals as well as a short introduction to suitable computational approaches are provided in this review.

A novel and more efficient biosynthesis approach for human insulin production in Escherichia coli (E. coli).

Insulin has captured researchers' attention worldwide. There is a rapid global rise in the number of diabetic patients, which increases the demand for insulin. Current methods of insulin production are expensive and time-consuming.