2025, Vol. 13, Issue 3, Part C

author(s)
Atreyee Majumder and Malavika Bhattacharya

abstract
The Bioinformatical theories finding highlight of the enormous potential of Indian medicinal herbs source as an example of biologically active chemicals using important therapeutic uses. The study shows that integrating conventional knowledge with current computational methods can speed up the determination of secure and effective processes medication prospective employees. That most special ADMET study revealed information about the drugs'inboth toxicity prediction and pharmacokinetics prediction characteristics, indicating their eligibility for additional information research. Pharmacology in Networks systems research revealed the consequences of many targets and method for actions, emphasizing those intricate connectionsin networks of the biological systems that these chemicals might alter in system. Simulations of Molecular dynamics and Molecular docking corroborated those protein-ligand complexes ‘stability and affinities for binding, providing a thorough knowledge of the functional molecular interactions and these active interactions of molecule favourable for pharmaceutical area of characteristics represents an important advance in the field of drugs step forward in drug research. These chemical substances show significant affinities towards binding, good ADMET characteristics, and consistency when simulating molecular dynamics simulations, making those intriguing candidates for medicinal development. The investigation highlights the importance of multidisciplinary collaboration among computational biologists, medicinal chemists, pharmacologists, and traditional medicine practitioners to validate findings through experimental research. Furthermore, this work contributes to the preservation and scientific validation of old knowledge, promoting its integration into modern healthcare processes. The potential for developing novel medications based on natural compounds with well-established efficacy and safety profiles is considerable, offering a sustainable and culturally relevant answer to global healthcare challenges. India, China, Korea, and Japan are leading the way by investing heavily in research on traditional medicines and scientific confirmation. It is applied to the future discovery of various innovative pharmaceutical medicines.