title: Bioinformatics in crosslinking chemistry of collagen with selective cross linkers.
abstract: BACKGROUND
  Identifying the molecular interactions using bioinformatics tools before venturing into wet lab studies saves the energy and time considerably. The present study summarizes, molecular interactions and binding energy calculations made for major structural protein, collagen of Type I and Type III with the chosen cross-linkers, namely, coenzyme Q10, dopaquinone, embelin, embelin complex-1 & 2, idebenone, 5-O-methyl embelin, potassium embelate and vilangin.
  
  
  RESULTS
  Molecular descriptive analyses suggest, dopaquinone, embelin, idebenone, 5-O-methyl embelin, and potassium embelate display nil violations. And results of docking analyses revealed, best affinity for Type I (- 4.74 kcal/mol) and type III (-4.94 kcal/mol) collagen was with dopaquinone.
  
  
  CONCLUSIONS
  Among the selected cross-linkers, dopaquinone, embelin, potassium embelate and 5-O-methyl embelin were the suitable cross-linkers for both Type I and Type III collagen and stabilizes the collagen at the expected level.
authors: Microbiology Division, Central Leather Research Institute (CSIR, NewDelhi), Adyar, Chennai 600 020, Tamil Nadu, India. gnanamani3@gmail.com.
authors: Radhakrishnan Narayana
authors: RN
authors: Swamy
authors: A
authors: A
authors: Gnanamani
authors: Sangeetha
authors: S
authors: Shanmugasamy
authors: Ramesh Kumar
authors: RK
authors: Gopal
authors: Asit Baran
authors: AB
authors: Mandal