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Annals of Medicinal Chemistry and Research

The In Silico Insight towards a

Opinion Article | Open Access | Volume 7 | Issue 1

  • 1. N.I. Pirogov Russian National Research Medical University, Moscow, Russia
  • 2. D.I. Mendeleev University of Chemical Technology, Moscow, Russia
  • 3. N.N. Semenov Federal Research Center for Chemical Physics, Moscow, Russia
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Corresponding Authors
Dmitry A Kuznetsov, N.I. Pirogov Russian National Research Medical University; N.N. Semenov Federal Research Center for Chemical Physics, Moscow, Russia
KEYWORDS

Shanghai Cooperation Organization (SCO), Magnetic Isotope Effects ,Nanocationites, In Silico Models, Translational Research

OPINION

Translational algorithms are truly essential parts of either preclinical or clinical trial protocols once new innovative drug is the case. This point, however, is no doubt treating differently in countries with different social/cultural traditions and, besides, with different medicine-related juridical backgrounds. Thus, some anti-tumor applicable medicinal nanoparticles are in a focus of the long-term preclinical research programs adopted for 2020-2025 period by Shanghai Cooperation Organization (SCO) [1,2]. Noteworthy, this regional political-economic association of nine Asian countries (China, Russia, Iran, India, Pakistan, Kazakhstan, Uzbekistan, Tajikistan, Kyrgyzstan: infoshos.ru/ en/?id=6, infoshos.ru/en/?id=51) with a total annual budget of nearly USD 26.8 bln is now takes care of support for current developments in novel pharmacophore tests aiming to optimize preclinical studies by increase of role and significance of the In Silico nanopharmacology models [2,3].

Some ethical and economical inconsistencies revealed in the recent debate between, so to say, «Western» and «Oriental» viewpoints on new drugs design, research and registration [1,2] looks like a signal to upgrade our attitude towards this problem in a way to reduce both costs and duration of the variable translational pharmacophore studies. Obviously, the health care related financial troubles or, to be polite, difficulties [3] dictate a truly careful standpoint on this sensitive issue. On other hand, there is an attention catching experience of preclinical trial optimization efforts taken by Eurasian region medical and pharmaceutical authorities in the past five-seven years. No doubt, this deserves to be considered for further not just debates but for practical moves to make ahead.

As an example, the recent SCO supervised translational projects covers an ongoing studies on oncopharmacological potential of porphyrin-fullerene based 25Mg2+-releasing nanoparticles, a promising family of cytostatics having the clear perspectives for AML and retinoblastoma chemotherapies. A remarkable aspect of this trend-making path is an active use of the In Silico platforms designed to analyse allometric and in vitro data, so to predict the numerical values and the volatility levels of the most critical pharmacokinetic and pharmacodynamic parameters [4,5]. Although a record of pharmacological research on the magnetic isotope effects counts nearly 15 years [4,5], some sharp anticancer properties of not more than three peculiar isotopes – 25Mg, 43Ca, 67Zn – were found sufficient enough for their tumor-targeted delivery using the porphyrin-C60 based nanocarriers. Taking into account everything stated above, this itself means a «reasonability», or even necessity, to engage the In Silico platforms with corresponding translational scenaria [4,5].

To be more specific, the modified non-Markov population dynamics algorithms along with the Gompertz equation systems based computational models were proven of being efficient to predict the AML cells selective accumulation of the above mentioned bivalent metal isotopes (25Mg, 43Ca, 60Co, 67Zn) releasing nanoparticles. This model operates with a starting point of the discriminative drug uptake caused by a gap-like distinction between proliferation rates of neighboring malignant and normal cell «reservoirs». As compared to AML, retinoblastoma is found to be the very same way sensitive to these paramagnetic isotopes due to their ability to promote a so called magnetic isotope effect leading to suppression of the DNA repair limiting enzymes in cancer cells [4,5] (Figure 1). The above listed matters are nothing but small and representative piece of a bigger puzzle. This is to emphasize the SCO upgraded insight towards an In Silico engaging strategies in translation medicine for 2020-2025. Project Code 075-15-2020-792/RF-190220X0031.

 

Received : 04 Jun 2024
Accepted : 30 Sep 2024
Published : 04 Oct 2024
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