Preliminary Therapeutic Analysis of Whooping Cough Using Molecular Docking & Found its Lead SAR

Preliminary Therapeutic Analysis of Whooping Cough Using Molecular Docking & Found its Lead SAR: From Prior Computational Screening to Final Therapeutic Potential Insights explores Whooping cough (pertussis), a highly contagious respiratory disease which continues to present significant challenges in therapeutic research and drug discovery. The application of computational drug discovery approaches to identify promising lead molecules with potential therapeutic relevance against Bordetella pertussis and its associated typical symptoms. This book presents a systematic overview of molecular docking, preliminary computational screening, lead identification and Structure-Activity Relationship (SAR) analysis to investigate potential drug-target interactions and understand the structural features influencing biological activity along with benefits and risks in changes. By integrating computational insights with therapeutic evaluation perspectives, it highlights the importance of rational drug design in identifying and prioritizing candidate molecules for further investigation. Designed for pharmacy students, pharmaceutical researchers, academicians and drug discovery professionals, this work offers a research-oriented perspective on the role of computational methods in modern pharmaceutical sciences. It bridges preliminary in-silico findings with future experimental validation, pharmacological assessment, and therapeutic development. Ultimately, this book aims to contribute to the ongoing exploration of innovative, evidence-driven strategies for pertussis research, emphasizing that computational predictions provide a foundation for further investigation rather than definitive proof of clinical efficacy.