The literature of Pokot ethnomedicine (Kenya) shows that several species used by the
Pokot are widely used throughout Kenya [1]. One of these species, Carissa
spinarum L. (CS) (Apocynaceae), was selected for further ethnomedical [2] and phytochemical investigation. The use of the inhaled root in chest congestion
led
to the analysis of steam distillate of CS root, finding a major metabolite, 2′-hydroxyacetophenone
(2-HAP), with little known bioactivity [3]. This study aims to
investigate the mechanism of action (MOA) of 2-HAP relative to traditional usage
of root volatile using systems pharmacology (SP). General SP analysis found 2-HAP
to be a druggable molecule
with predicted overlaps with ethnomedical use of volatilised root in respiratory,
central nervous system and inflammatory conditions. As a folk treatment of respiratory
disease, further
research is required to elucidate its MOAs and explore its therapeutic potential
for treating lung inflammatory disorders. Literature and SP studies revealed core
targets for molecular docking
analysis. Good results for PTGS2, IL18, NOS3, ACE2, PTGS1, CCNA2 and ALB were
confirmed by molecular computational analyses indicating a potential MOA of 2-HAP
in pulmonary inflammatory and
immune responses. This study confirmed the therapeutic effect of CS, a tree widely
used in African and Asian countries to treat different diseases. The potential mechanisms
of 2-HAP were
revealed by network pharmacology and molecular computational analyses. Our results
offer a different perspective using modern pharmacological mechanisms which may assist
in the global fight
against the COVID-19 pandemic. Further cell and animal models are necessary to
verify the relevant pathways and targets.
Fig. 1
