Virtual Screening of Anti-Cancer Compounds: Application of Monte Carlo Technique-Reference-Cited by-同舟云学术

Virtual Screening of Anti-Cancer Compounds: Application of Monte Carlo Technique

Published:2019-05-31 Issue:2 Volume:19 Page:148-153
ISSN:1871-5206
Container-title:Anti-Cancer Agents in Medicinal Chemistry
language:en
Short-container-title:ACAMC

Author:

Toropova Alla P.¹,Toropov Andrey A.¹,Benfenati Emilio¹,Leszczynska Danuta²,Leszczynski Jerzy³

Affiliation:

1. Department of Environmental Health Science, Laboratory of Environmental Chemistry and Toxicology, Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Via La Masa 19, 20156 Milano, Italy

2. Interdisciplinary Nanotoxicity Center, Department of Civil and Environmental; Engineering, Jackson State University, 1325 Lynch Street, Jackson, MS 39217-0510, United States

3. Interdisciplinary Nanotoxicity Center, Department of Chemistry and Biochemistry, Jackson State University, 1400 J. R. Lynch Street, P.O. Box 17910, Jackson, MS 39217, United States

Abstract

Possibility and necessity of standardization of predictive models for anti-cancer activity are discussed. The hypothesis about rationality of common quantitative analysis of anti-cancer activity and carcinogenicity is developed. Potential of optimal descriptors to be used as a tool to build up predictive models for anti-cancer activity is examined from practical point of view. Various perspectives of application of optimal descriptors are reviewed. Stochastic nature of phenomena which are related to carcinogenic potential of various substances can be successfully detected and interpreted by the Monte Carlo technique. Hypothesises related to practical strategy and tactics of the searching for new anticancer agents are suggested.

Publisher

Bentham Science Publishers Ltd.

Subject

Cancer Research,Pharmacology,Molecular Medicine

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