ABSTRACT
The multiple drug resistance in MRSA (Methicillin resistant Staphylococcus aureus) has become a major clinical problem worldwide. Methicillin resistance (mediated by PBP2a protein) is a serious issue limiting treatment options and necessitating the search of newer safe and effective alternative treatment regimens. Aim of the present study was to evaluate the potential of the plant product ‘Curcumin’ and its derivatives as effective antibacterial agents by means of insilico based studies. Computer aided drug designing is an initial platform helpful to screen novel inhibitors and has tremendous application in the development of new drugs. In the present study a series of 16 derivatives of curcumin were constructed and optimized using chemsketch software.Molecular docking was performed using the GOLD (Genetic Optimization of Ligand Docking) software which is based on genetic algorithm (GA), to study the binding orientation of these derivatives into the PBP2a structure. Derivative 10 (1E,6E)-1,7-bis(3- hydroperoxy-4-hydroxyphenyl)hepta-1,6-diene-3,5-dione) showed best docking fitness value compared to other derivatives(including Curcumin). The molecular, physicochemical, and biological properties were calculated (through molinspiration cheminformatics software) for compounds showing the best docking scores. These compounds were further subjected to toxicity predictions using the Osiris software.
ABSTRACT
Many forms of alternative medicines were available for those who cannot be helped by conventional medicine. Ayurvedha and Herbal medicine were two important forms of alternative medicine that was widely available in India. This work was mainly concerned with the identification of the therapeutic properties of Hemidesmus indicus. The ethanolic extract of hemidesmus indicus root was used for its anti oxidant and antimicrobial activity. Hemidesmus indicus root extract has very well anti oxidant and anti microbial activity. The ethanolic extract of Hemidesmus indicus was checked for anti microbial activity against pathogenic bacteria such as staphylococcus aures, pseudomonas aeruginosa and fungi Aspergillus niger.