Drug design

In recent years anti-virulence agents have been used widely to reduce bacterial resistance and prevent damage to host cells and normal flora.  Six  molecules were used in this study (according to previous in silico studies) to detect their antibiofilm activity in lab. Four molecules gave positive results and were as follows : Acetaminophen inhibited biofilm production 100% at 11000µg/ml concentration, Acetylsalicylic Acid inhibition was 100% at 1600µg/ml , Ibuprofen inhibited 35% of biofilm production at 600µg/ml and Acetic Acid inhibition was 25% at 1000 µg/ml concentration .All the molecules at the used concentrations were found to affect biofilm production without significant change in bacterial growth. It was concluded that a structure based drug design strategy using Ligand Based Virtual Screening had a success score of about 60% and that Acetaminophen, Acetylsalicylic Acid, Ibuprofen and Acetic Acid can be used as antibiofilm molecules . Also Non-Steroidal Anti-Inflammatory Drugs family can be a useful library for antibiofilm future investigations.

  Bioisosteres are atoms or group of molecules that fit the broadest definition for isosteres. They have chemical and physical similarities thus producing broadly similar biological properties. Many heterocycles, when appropriately substituted exhibits bioisosterism. Bioisosterism represents an approach used by the medicinal chemist for the rational modification of lead compounds into safer and more clinically effective agents. It has significant value in drug design and lead optimization process as it may enhance the desired biological or physical properties of a compound, reduce toxicity and also alter the metabolism of the lead. Bioisosteric replacement is not simple replacement with another isostere but they are firstly analyzed by structural, solubility and electronic parameters to obtain molecules having similar biological activity. Few of the popular examples of the successful use of bioisosteres have been included. The objective of this review is to provide an overview of bioisosteric replacements which can be used for advance drug development.