Selection of herbal therapeutics against deltatoxin mediated Clostridial infections |
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Authors: | Skariyachan Sinosh Mahajanakatti Arpitha Badarinath Sharma Narasimha Sevanan Murugan |
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Institution: | 1R & D Center, Department of Biotechnology, Dayananda Sagar College of Engineering, Bangalore-560 078, Karnataka, India;2Department of Biotechnology, Karunya University, Coimbatore- 641 114, Tamilnadu, India |
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Abstract: | Clostridium perfringens (a versatile pathogenic bacterium) secretes enterotoxins (the deltatoxin, virulent factor) and causes food borne gastroenteritis and gasgangrene. The organism was isolated and characterized from improperly cooked meat and poultry samples. The isolated organism showed multiple drug resistance indicating that the treatment is challenging. Hence, there is need for improved therapeutic agents. The rational design of improved therapeutics requires the crystal structure for the toxin. However, the structure for the toxin is not yet available in its native form. Thus, we modeled the toxin structure using α- hemolysin of Staphylococcus aureus (PDB: 3M4D chain A) as template. The docking of the toxin with the herbal extract curcumin (1,7-bis(4-hydroxy-3- methoxyphenyl)hepta-1,6-diene-3,5-dione) showed a binding energy of -8.6 Kcal/mol, in comparison to the known antibiotic Linezolid with binding energy of -6.1 Kcal/mol. This data finds application in the design and development of novel compounds against the deltatoxin from Clostridium perfringens. |
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Keywords: | Clostridium perfringens multidrug resistance deltatoxin molecular docking design curcumin |
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