VA. In silico Therapeutics for Neurogenic Hypertension and Vasovagal Syncope

VA. In silico Therapeutics for Neurogenic Hypertension and Vasovagal Syncope


Neurogenic hypertension is characterized by an increased level of sympathetic nervous activity. Recently, due to its potential causal role
in the genesis of neurogenic hypertension, an emphasis was put on the role of oxidative stress in brain stem structures, Ang 1-7-MAS receptor-NO mechanism thus representes a good choice for investigation of neurogenic hypertension therapeutic candidate. In the case of vasovagal syncope, Nucleus Tractus Solitarii in the brain stem are stimulated provoking an enhancement of vagal tone and withdrawal of sympathetic nervous activity tone. Vasovagal syncope could benefit from recruiting
and application of antimuscarinic drugs used in other parasympathetic disorders. The development of new drugs for treatment
of neurogenic hypertension and vasovagal syncope is time and money consuming process, which
can be accelerated by in silico screening of the molecular libraries for candidate novel
drugs and by repurposing of approved drugs. The aim of this study was then to apply EIIP/ISM
approach, connecting the electron-ion interaction potential of organic molecules and their biological
properties, to identify candidate neuropeptides and small-molecules for the potential therapeutics
of neurogenic hypertension and vasovagal syncope. The ISM analysis identified three forms of
apelin as the potential candidates-interactors of MAS receptor on neurons in brainstem sympathetic
centers and indicated apelin as potential modulator of MAS1 receptor and novel candidate
for treatment of neurogenic hypertension. With respect to the muscarinic antagonists
applied in the therapy of vasovagal syncope, an AQVN/EIIP approach for new candidates reveals
that, on the basis of their molecular properties, 78% of tested antimuscarinic drugs might have
therapeutical potential for vasovagal syncope. Best candidates for future clinical studies
are hydroxyzine and cyclopentolate.

1 Reply to “VA. In silico Therapeutics for Neurogenic Hypertension and Vasovagal Syncope”

Leave a Reply

Your email address will not be published. Required fields are marked *