Significance: mAbs are increasingly being used for treatment of chronic diseases wherein the subcutaneous delivery route is preferred to enable self-administration and at-home use. To deliver high doses (several hundred milligrams) through a small volume (∼1 mL) into the subcutaneous space, mAb solutions need to have low viscosity. Concomitantly, acceptable chemical stability is required for adequate shelf life, and normal in vivo clearance is needed for less frequent dosing. We propose in silico tools that provide rapid assessment of atypical behavior of mAbs (high viscosity, chemical degradation, and fast plasma clearance), which are simply predicted from sequence and/or structure-derived parameters. Such analysis will greatly improve the probability of success to move mAb-based therapeutics efficiently into clinical development and ultimately benefit patients.

Understanding the unique properties of water still represents a significant challenge for theory and experiment. Computer simulations by molecular dynamics require a reliable description of the atomic interactions, and in recent decades countless water potentials have been reported in the literature. Still, most of these potentials contain significant approximations, for instance a frozen internal structure of the individual water monomers. Artificial neural networks (NNs) offer a promising way for the construction of very accurate potential-energy surfaces taking all degrees of freedom explicitly into account. These potentials are based on electronic structure calculations for representative configurations, which are then interpolated to a continuous energy surface that can be evaluated many orders of magnitude faster. We present a full-dimensional NN potential for the water dimer as a first step towards the construction of a NN potential for liquid water. This many-body potential is based on environment-dependent atomic energy contributions, and long-range electrostatic interactions are incorporated employing environment-dependent atomic charges. We show that the potential and derived properties like vibrational frequencies are in excellent agreement with the underlying reference density-functional theory calculations.

Nanotechnology has revolutionised biomedical research, offering innovative healthcare solutions. Plant-based nanotechnology is emerging as a sustainable alternative, minimising environmental impacts and enhancing therapeutic effectiveness. This paper explores the potential of plant-derived nanoparticles (PNPs) in medicine, highlighting their biocompatibility, multifunctionality, and eco-friendliness. PNPs, synthesised through green methods, have demonstrated promising applications in drug delivery, cancer therapy, antimicrobial treatments, and tissue regeneration. Their unique properties, such as a high surface area and bioactive components, enable improved drug delivery, targeting, and controlled release, reducing side effects and enhancing treatment efficacy. Additionally, plant-derived compounds’ inherent antimicrobial and antioxidant properties, retained within platinum nanoparticles (PNPs), present innovative opportunities for combating antimicrobial resistance and promoting wound healing. Despite their potential, challenges remain in standardising PNP synthesis, ensuring consistency, and scaling up production for industrial applications. This review emphasises the need for further research on PNP toxicity, biocompatibility, and regulatory frameworks to fully harness their capabilities in clinical and commercial applications. Plant-based nanotechnology represents a promising, greener alternative for advancing healthcare solutions, aligning with global sustainability goals.

The use of plant or plant-based products to stimulate sexual desire and to enhance performance and enjoyment is almost as old as the human race itself. The present paper reviews the active, natural principles, and crude extracts of plants, which have been useful in sexual disorders, have potential for improving sexual behaviour and performance, and are helpful in spermatogenesis and reproduction. Review of refereed journals and scientific literature available in electronic databases and traditional literature available in India was extensively performed. The work reviews correlation of the evidence with traditional claims, elucidation, and evaluation of a plausible concept governing the usage of plants as aphrodisiac in total. Phytoconstituents with known structures have been classified in appropriate chemical groups and the active crude extracts have been tabulated. Data on their pharmacological activity, mechanism of action, and toxicity are reported. The present review provides an overview of the herbs and their active molecule with claims for improvement of sexual behaviour. A number of herbal drugs have been validated for their effect on sexual behavior and fertility and can therefore serve as basis for the identification of new chemical leads useful in sexual and erectile dysfunction.