The role and potential of computer-aided drug discovery strategies in the discovery of novel antimicrobials.

Antimicrobial resistance (AMR) has become more of a concern in recent decades, particularly in infections associated with global public health threats. The development of new antibiotics is crucial to ensuring infection control and eradicating AMR. Although drug discovery and development are essential processes in the transformation of a drug candidate from the laboratory to the bedside, they are often very complicated, expensive, and time-consuming. The pharmaceutical sector is continuously innovating strategies to reduce research costs and accelerate the development of new drug candidates. Computer-aided drug discovery (CADD) has emerged as a powerful and promising technology that renews the hope of researchers for the faster identification, design, and development of cheaper, less resource-intensive, and more efficient drug candidates. In this review, we discuss an overview of AMR, the potential, and limitations of CADD in AMR drug discovery, and case studies of the successful application of this technique in the rapid identification of various drug candidates. This review will aid in achieving a better understanding of available CADD techniques in the discovery of novel drug candidates against resistant pathogens and other infectious agents.

Wound Healing Activities and Potential of Selected African Medicinal Plants and Their Synthesized Biogenic Nanoparticles.

In Africa, medicinal plants have been traditionally used as a source of medicine for centuries. To date, African medicinal plants continue to play a significant role in the treatment of wounds. Chronic wounds are associated with severe healthcare and socio-economic burdens despite the use of conventional therapies. Emergence of novel wound healing strategies using medicinal plants in conjunction with nanotechnology has the potential to develop efficacious wound healing therapeutics with enhanced wound repair mechanisms. This review identified African medicinal plants and biogenic nanoparticles used to promote wound healing through various mechanisms including improved wound contraction and epithelialization as well as antibacterial, antioxidant and anti-inflammatory activities. To achieve this, electronic databases such as PubMed, Scifinder® and Google Scholar were used to search for medicinal plants used by the African populace that were scientifically evaluated for their wound healing activities in both in vitro and in vivo models from 2004 to 2021. Additionally, data on the wound healing mechanisms of biogenic nanoparticles synthesized using African medicinal plants is included herein. The continued scientific evaluation of wound healing African medicinal plants and the development of novel nanomaterials using these plants is imperative in a bid to alleviate the detrimental effects of chronic wounds.

Aptamer-Based Diagnostic Systems for the Rapid Screening of TB at the Point-of-Care.

The transmission of Tuberculosis (TB) is very rapid and the burden it places on health care systems is felt globally. The effective management and prevention of this disease requires that it is detected early. Current TB diagnostic approaches, such as the culture, sputum smear, skin tuberculin, and molecular tests are time-consuming, and some are unaffordable for low-income countries. Rapid tests for disease biomarker detection are mostly based on immunological assays that use antibodies which are costly to produce, have low sensitivity and stability. Aptamers can replace antibodies in these diagnostic tests for the development of new rapid tests that are more cost effective; more stable at high temperatures and therefore have a better shelf life; do not have batch-to-batch variations, and thus more consistently bind to a specific target with similar or higher specificity and selectivity and are therefore more reliable. Advancements in TB research, in particular the application of proteomics to identify TB specific biomarkers, led to the identification of a number of biomarker proteins, that can be used to develop aptamer-based diagnostic assays able to screen individuals at the point-of-care (POC) more efficiently in resource-limited settings.

Antibacterial activity of biogenic silver and gold nanoparticles synthesized from Salvia africana-lutea and Sutherlandia frutescens.

Nanoparticles (NPs) synthesized using various chemical and physical methods are often cytotoxic which restricts their use in biomedical applications. In contrast, metallic biogenic NPs synthesized using biological systems such as plant extracts are said to be safer and their production more cost effective. NPs synthesized from plants with known medicinal properties can potentially have similar bioactivities as these plants. It has been shown that Salvia africana-lutea (SAL) and Sutherlandia frutescens (SF) have antibacterial activities. This study used water extracts of SAL and SF to produce biogenic silver NPs (AgNPs) and gold NPs (AuNPs). The antibacterial activity of AgNPs and AuNPs was tested against two pathogens (Staphylococcus epidermidis and P. aeruginosa). NP synthesis was optimized by varying the synthesis conditions which include synthesis time and temperature, plant extract concentration, silver nitrate (AgNO3) concentration and sodium tetrachloroaurate (III) dihydrate (NaAuCl4 · 2H2O) concentration. The NPs were characterized using Ultraviolet-visible (UV-vis) spectroscopy, dynamic light scattering, high-resolution transmission electron microscopy (HR-TEM), and Fourier transform infrared (FT-IR) spectroscopy. SAL was able to synthesize both Ag (SAL AgNP) and Au (SAL AuNP) nanoparticles, whilst SF synthesized Ag (SF AgNP) nanoparticles only. The absorbance spectra revealed the characteristic surface plasmon resonance peak between 400-500 nm and 500-600 nm for AgNP and AuNP, respectively. HR-TEM displayed the presence of spherical and polygon shaped nanoparticles with varying sizes whilst the Energy Dispersive x-ray spectra and selected area diffraction pattern confirmed the successful synthesis of the AgNPs and AuNPs by displaying the characteristic crystalline nature, optical adsorption peaks and lattice fringes. FT-IR spectroscopy was employed to identify the functional groups involved in the NP synthesis. The microtitre plate method was employed to determine the minimum inhibitory concentration (MIC) of the NPs and the extracts. The water extracts and SAL AuNP did not have significant antibacterial activity, while SAL AgNP and SF AgNP displayed high antibacterial activity. In conclusion, the data generated suggests that SAL and SF could be used for the efficient synthesis of antibacterial biogenic nanoparticles.