Insilico Insights into Resveratrol as a Potential Inhibitor of Mycobacterium Tuberculosis Enoyl-ACP Reductase (InhA) Protein

Mon, 30 Sep 2024 00:00:00 +0000

Mycobacterium tuberculosis, the causative agent of tuberculosis, is a global cause of death. Thus, the development of innovative treatment strategies is required. Objective: To develop in-silico drugs by phytochemicals to inhibit the Enoyl-ACP reductase (InhA) protein, which is essential for synthesizing mycobacterial cell walls. Methods: The 3D structure of InhA was taken from the Protein Data Bank. The Ramachandran plot validated the model with a score of 98.7% from the favoured Ramachandran plot. Computed Atlas of Surface Topography of Proteins was used to detect the active sites for ligand interaction. Resveratrol were selected based on existing studies and further listed for drug-likeness. Absorption, Distribution, Metabolism, Excretion, and Toxicity analysis showed the possibility of resveratrol as a drug candidate, with no violation of Lipinski rules and excellent absorption in the Gastrointestinal Tract. Results: The boiled egg model confirmed the ability of ligands to go through the blood-brain barrier. Toxicity predictions of resveratrol indicated low risks with several other systems of organs. Molecular docking with CB-Dock2 showed the strong binding of Resveratrol to InhA, with a Vina score equal to -8.8 kcal/mol. Further exploration of the docking complex by molecular docking simulation using the Integrated Management of the Public Distribution System was carried out, and the trajectory confirmed stable interaction and protein flexibility. Conclusions: It was concluded that resveratrol acts as a potent, non-toxic candidate for tuberculosis treatment and highlights its inhibition capacity of InhA. Results need future vitro and in vivo validation to develop this highly reliable therapeutic alternative for combating tuberculosis.

Personalized Medicine: The Dawn of a New Era in Healthcare

Fridoon Jawad Ahmed — Mon, 30 Sep 2024 00:00:00 +0000

The landscape of healthcare is transforming with the advent of personalized medicine, an approach that alters medical treatment to each individual's specific characteristics. This paradigm shift is driven by advancements in genomics, molecular biology, and bioinformatics, which have developed a deeper understanding of the genetic and molecular basis of diseases. This new healthcare model is based on precision and individualization, aiming to provide customized healthcare with medical decisions and treatments by considering variability in genes, environment and lifestyle of an individual patient and offer accurate diagnosis, better treatments and prevention plans.

The accomplishment of the Human Genome Project in 2003 was a significant advancement in genomics that provided blueprints of the human genome [1]. Rapid progress in genomic sequencing technologies makes it feasible and cost effective. Advanced sequencing techniques including next-generation sequencing allow a detailed analysis of genetic makeup to locate mutations and genetic predispositions for better treatment decisions. Cancer is caused by genetic heterogeneity and has benefited greatly from genomic insights. Molecular profiling of tumor cells allows the identification of specific genetic mutations involved in cancer pathogenesis. Targeted therapies can then be designed to inhibit these specific molecular pathways, leading to more effective and less toxic treatments compared to traditional chemotherapy. For example, in breast cancer the identification of Human epidermal growth factor receptor 2 (HER2) mutations has led to the development of HER2-targeted therapies to improve treatment [2]. Besides oncology, personalized medicine is making progress in other fields. In cardiology, genetic testing allows identification of patients who are at risk of getting inherited cardiovascular diseases. In pharmacology, pharmacogenomics, the study of correlation between genes and immune response of an individual to drugs helps in designing most effective drugs with the least side effects for each patient. In infectious diseases, genomic sequencing of pathogenic microbes can lead to development of appropriate antimicrobial drugs to prevent outbreaks.

Despite its progress, the implementation of personalized medicine is facing several challenges. The utilization of genomic data in clinical workflows demands significant changes to healthcare setting and training with concerns about data privacy, equal access to diverse populations and the ethical implications of genetic information. Currently, the universal unavailability of sophisticated bioinformatics tools to interpret complex genomic data is also a challenge. Researchers and policymakers must work in to set guidelines and standards for safe use of personalized medicine.

Therefore, personalized medicine is a promising tool, which has revolutionized diagnosis, treatment, and prevention in traditional medicine. Using genomics and molecular biology, we can develop a more precise, predictive, and personalized approach to medicine. This exciting frontier must be navigated with the ultimate goal of improving patient outcomes.

Futuristic Biotechnology

Insilico Insights into Resveratrol as a Potential Inhibitor of Mycobacterium Tuberculosis Enoyl-ACP Reductase (InhA) Protein

Personalized Medicine: The Dawn of a New Era in Healthcare