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Predicting Chemical Toxicity and Fate - Section 3

Dữ liệu cho mô hình hóa QSAR A. Nguồn Công gây ung thư và đột biến dữ liệu III. QSAR mô hình hóa của chủng đột biến gen và gây ung thư A. QSARs cho lớp học Hóa chất cá nhân của B. Ví dụ: QSARs cho các amin thơm C. QSAR Mô hình cho Noncongeneric Hóa chất IV. Đánh giá của A. Khả năng dự báo NTP Tập thể dục so sánh trên các dự báo của Rodent gây ung thư B. Chương trình Mục tiêu Quốc gia dự báo so sánh thứ hai Tập thể dục trên dự. | Section 3 QSARs for Human Health Endpoints 2004 by CRC Press LLC Chapter 8 Prediction of Human Health Endpoints Mutagenicity and Carcinogenicity Romualdo Benigni contents I. Introduction II. Data for QSAR Modeling A. Public Sources of Carcinogenicity and Mutagenicity Data III. QSAR Modeling of Mutagenicity and Carcinogenicity A. QSARs for Individual Chemical Classes B. An Example QSARs for the Aromatic Amines C. QSAR Models for Noncongeneric Chemicals IV. The Assessment of the Prediction Ability A. The First NTP Comparative Exercise on the Prediction of Rodent Carcinogenicity B. The Second NTP Comparative Prediction Exercise on the Prediction of Rodent Carcinogenicity C. Lessons from the Comparative Exercises on the Prediction of Carcinogenicity . V. How Should a User Approach the Prediction of Mutagenicity and Carcinogenicity A. The Human Expert Approach VI. Recommendations A Summary References I. introduction One of the most ambitious goals of structure-activity relationship quantitative structure-activity relationship SAR QSAR applications to toxicology is the modeling of the chemical carcinogenicity this because of the severity of its consequences on the quality of life and because of the enormous investment in time financial resources and animal lives required to test chemicals adequately. Mutagenicity is another important toxicological endpoint chemical mutagens provoke heritable mostly deleterious changes to the genetic material. From a mechanistic point of view carcinogens can be classified as 1 genotoxic and 2 epigenetic carcinogens Woo and Lai 2003 . Genotoxic carcinogens also known as deoxyribonucleic acid- DNA 2004 by CRC Press LLC reactive carcinogens interact directly with DNA either as parent chemicals or as reactive metabolites Miller and Miller 1977 . Genotoxic or mutagenic carcinogens are thought to work by inducing mutations the first step in several carcinogenic processes often consists of one or more mutations the somatic mutation theory of .