Articles Accepted

This review explores the structural features crucial for the development and efficacy of novel molecules as antitubercular agents. Tuberculosis remains a global health threat, necessitating continuous efforts to discover new therapeutic agents. Understanding the structural characteristics of these molecules is essential for rational drug design and optimization. We have tried to emphasize the importance of targeting specific cellular components to inhibit mycobacterial growth followed by exploring the diverse structural classes of molecules currently explored for their antitubercular activity, including small molecules, peptides, and natural products. Critical structural features, such as the presence of functional groups, stereochemistry, molecular weight, and lipophilicity, are extensively analyzed in the context of their impact on the molecules' pharmacokinetic and pharmacodynamic properties. Additionally, in some cases, the review evaluates the role of molecular docking studies and computational methods in predicting the binding affinities and interactions of these molecules with their target enzymes or proteins within the TB pathogen. This review underscores the significance of understanding the structural features of novel molecules offering valuable insights for future research directions in the field of tuberculosis drug discovery and development.