Papers
Skin Sensitization: Reaction Mechanistic Applicability Domains for Computational Structure Activity Relationship
A POJECT REPORT
AS PART OF THE REQUIRMENT OF
THE DEGREE OF MASTER OF SCIENCE
SUBMITED BY:
BALDANIYA BHAVESHKUMAR B.
Enrollment no: CUG/2011/0193
SCHOOL OF ChEMICAL SCIENCEs
Central University of Gujarat
GAndhinagar – 382030
India
May 2013
Dedicated to my
Parents And Friends
STATMENMT
I hereby declare that the work exemplified in this dissertation is the result of investigations carried out by me in the School of Chemical Sciences, Central University of Gujarat, Gandhinagar, under the supervision of Prof. Prakash C. Jha.
Statement verified
Prof. Prakash C. Jha. Baldaniya Bhaveshkumar B.
(Project supervisor)
Date: May 2013
Introduction of skin sensitization:
Skin sensitization is an important industrial disease. Sensitization of workers and consumers is a major problem for individuals, employers and for marketing certain products. In western world, 15-20% of the populations are allergic to one or more chemicals in their environment.1 Skin sensitization are reactive toxicity end point.
Skin sensitization is caused by very wide range of chemicals. Skin sensitization is an immune reaction to small exogenous molecules with the ability to chemically modify skin proteins.2 Skin sensitizers are reacting on the surface of skin proteins of human or animal. The proteins modified with the chemicals are then recognized by the immune system as foreign particle and trigger a specific T-cell mediated immune response leading to the disease status known as contact allergy. A key step in this process is that covalent adduct between skin sensitizers and endogenous protein or peptide in the skin.2 In the immune system of body there is large chain of protein molecules, that protein part is known as epitopes. Epitopes are reacting as receptor in the skin and sensitizers are binding to modify the skin.3
Mainly, skin
A POJECT REPORT
AS PART OF THE REQUIRMENT OF
THE DEGREE OF MASTER OF SCIENCE
SUBMITED BY:
BALDANIYA BHAVESHKUMAR B.
Enrollment no: CUG/2011/0193
SCHOOL OF ChEMICAL SCIENCEs
Central University of Gujarat
GAndhinagar – 382030
India
May 2013
Dedicated to my
Parents And Friends
STATMENMT
I hereby declare that the work exemplified in this dissertation is the result of investigations carried out by me in the School of Chemical Sciences, Central University of Gujarat, Gandhinagar, under the supervision of Prof. Prakash C. Jha.
Statement verified
Prof. Prakash C. Jha. Baldaniya Bhaveshkumar B.
(Project supervisor)
Date: May 2013
Introduction of skin sensitization:
Skin sensitization is an important industrial disease. Sensitization of workers and consumers is a major problem for individuals, employers and for marketing certain products. In western world, 15-20% of the populations are allergic to one or more chemicals in their environment.1 Skin sensitization are reactive toxicity end point.
Skin sensitization is caused by very wide range of chemicals. Skin sensitization is an immune reaction to small exogenous molecules with the ability to chemically modify skin proteins.2 Skin sensitizers are reacting on the surface of skin proteins of human or animal. The proteins modified with the chemicals are then recognized by the immune system as foreign particle and trigger a specific T-cell mediated immune response leading to the disease status known as contact allergy. A key step in this process is that covalent adduct between skin sensitizers and endogenous protein or peptide in the skin.2 In the immune system of body there is large chain of protein molecules, that protein part is known as epitopes. Epitopes are reacting as receptor in the skin and sensitizers are binding to modify the skin.3
Mainly, skin
References: 1) Allergic Contact Dermatitis - Formation, Structural Requirements, and Reactivity of Skin Sensitizers. Chem. Res. Toxicol. 2008, 21, 53-69 2) Chemical Basis for the Extreme Skin sensitization Potency of (E)-4-(Ethoxymethylene)-2-phenyloxazol-5-(4H)-one. Chem. Res. Toxicol. 2010, 23, 1913-1920 3) Chemical Reactivity and Skin Sensitization Potential for Benzaldehydes: Can Schiff Base Formation Explain Everything? Chem. Res. Toxicol. 2012, 25, 2203-2215 4) Mechanistic Applicability Domains for Non-Animal Based Prediction of Toxicological Endpoints. QSAR Analysis of the Schiff Base Applicability Domain for Skin Sensitization. Chem. Res. Toxicol. 2006, 19, 1228-1233 5) Structure Activity Relationship for Skin Sensitization Potential: Development of Structural Alerts for Use in Knowledge-Based Toxicity Prediction Systems. J. Chem. Inf. Comput. Sci. 1994, 34, 154-161 6) An introduction to medicinal chemistry by Graham L. Patrick 7) Statistical concept in QSAR, S. Moro – MACF, 2002