Computer‐aided Evaluation of Polyvalent Medications’ Pharmacological Potential. Multiphytoadaptogen as a Case Study

Abstract

Many human diseases including cancer, degenerative and autoimmune disorders, diabetes and others are multifactorial. Pharmaceutical agents acting on a single target do not provide their efficient curation. Multitargeted drugs exhibiting pleiotropic pharmacological effects have certain advantages due to the normalization of the complex pathological processes of different etiology. Extracts of medicinal plants (EMP) containing multiple phytocomponents are widely used in traditional medicines for multifactorial disorders' treatment. Experimental studies of pharmacological potential for multicomponent compositions are quite expensive and time-consuming. In silico evaluation of EMP the pharmacological potential may provide the basis for selecting the most promising directions of testing and for identifying potential additive/ synergistic effects. Multiphytoadaptogen (MPhA) containing 70 major phytocomponents of different chemical classes from 40 medicinal plant extracts has been studied in vitro, in vivo and in clinical researches. Antiproliferative and anti-tumor activities have been shown against some tumors as well as evidencebased therapeutic effects against age-related pathologies. In addition, the neuroprotective, antioxidant, antimutagenic, radioprotective, and immunomodulatory effects of MPhA were confirmed. Analysis of the PASS profiles of the biological activity of MPhA phytocomponents showed that most of the predicted anti-tumor and anti-metastatic effects were consistent with the results of laboratory and clinical studies. Antimutagenic, immunomodulatory, radioprotective, neuroprotective and anti-Parkinsonian effects were also predicted for most of the phytocomponents. Effects associated with positive effects on the male and female reproductive systems have been identified too. Thus, PASS and PharmaExpert can be used to evaluate the pharmacological potential of complex pharmaceutical compositions containing natural products Keywords: natural products • multiphytoadaptogen • pharmacological potential • PASS • PharmaExpert • in silico estimation • in vitro and in vivo validation • clinical studies

Schisandrin and Schisantherin A in Multiphytoadaptogen for Preventive Oncology

“…Все активности, для которых расчетные значения Pa превышают Pi, считаются вероятными. Анализ интегрального действия и возможных взаимодействий между лекарствами химических соединений, обнаруженных в Schisandra chinensis, был выполнен с помощью компьютерной программы PharmaExpert [24,37]. Эффективность подхода, использующего компьютерные программы PASS и PharmaExpert для анализа возможных биологических активностей отдельных фито компонентов и их комплексов, была показана во многих исследованиях [37].…”

“…В клинических исследованиях также был получен высокий терапевтический эффект МФА в отношении возрастных патологий -доброкачественной гиперплазии предстательной железы и болезни Паркинсона. При этом показаны нейропротекторное, антиоксидантное, антимутагенное, радиопротективное, иммуномодулирующее действия МФА [21,[24][25][26][27][28].…”

“…Оригинальная растительная формула мультифитоадаптоген (МФА) для профилактической онкологии была разработана в Национальном медицинском исследовательском центре онкологии им. Н. Н. Блохина [21,24]. МФА содержит компоненты 40 экстрактов официальных растений, включая адаптогены Panax ginseng, Aralia mandshurica, Eleutherococcus senticosus, Rhodiola rosea, Oplopanax elatus, Schisandra chinensis.…”

Phyto4Health: Database of Phytocomponents from Russian Pharmacopoeia Plants

“…These methods can be applied both to extend the pharmacological potential and to identify substances in the plant extracts associated with the required pharmacological effect or mechanism of action. The suitability of in silico approaches for such purposes has been demonstrated in numerous studies of individual phytocomponents and their mixtures (see, e.g., refs − ).…”

Secondary metabolites of Schisandra chinensis in homeostasis regulator adaptogen herbal formula for preventive oncology

“…The original herbal formula Multiphytoadaptogen (MPhA) for preventive oncology was developed in the N.N. Blokhin National Medical Research Center of Oncology [22,29]. MPhA contains components of 40 official plants extracts, including adaptogens Panax ginseng, Aralia mandshurica, Eleutherococcus senticosus, Rhodiola rosea, Oplopanax elatus, Schizandra chinensis.…”