Heterocyclic scaffolds are vital to medicinal chemistry due to their versatility, diversity, and ability to target various biological molecules. This review covers advances in designing and synthesizing bioactive heterocycles, highlighting structure-based drug design (SBDD) and ligand-based drug design (LBDD) approaches with computational modeling and Artificial Intelligence (AI) to find potent, selective molecules with good Absorption, Distribution, Metabolism, Excretion and Toxicity (ADMET) profiles. Case studies show the successful development of heterocyclic drugs for cancer, microbial infections, inflammation, viral infections, and Central Nervous System (CNS) disorders. Synthetic methods have evolved from classical electrophilic/nucleophilic reactions to modern techniques like multicomponent reactions, microwave synthesis, metal catalysis, and green chemistry, making frameworks more accessible. The review discusses Quantitative Structure-Activity Relationship (QSAR) studies for molecular optimization. Challenges like synthetic complexity and resistance remain, but emerging trends like machine learning, omics, and enzyme synthesis offer new opportunities. Ultimately, combining design principles and innovative methods can speed up drug discovery and enable sustainable, personalized therapies with heterocyclic pharmacophores.
Debajit Dewan, Bhupender Nehra, R. Nath et al.· Future Medicinal Chemistry· 0 citations
Biological macromolecules form the cornerstone of cellular architecture and function through diverse structural arrangements and dynamic interactions. Recent methodological breakthroughs have revolutionized our understanding of these complex biomolecular systems by providing unprecedented resolution of their three-dimensional organization and conformational landscapes. This review examines significant advances in both structural elucidation and functional characterization approaches that bridge the critical gap between static snapshots and dynamic behaviors exhibited within cellular environments. Non-cell-based analytical platforms have similarly evolved, offering enhanced sensitivity, multiplexing capabilities, and reduced sample requirements for interrogating molecular interactions under near-physiological conditions. The integration of experimental approaches with computational modeling has enabled the construction of comprehensive structure-function relationships that more accurately represent macromolecular behavior in native contexts. This review aims to provide a contemporary assessment of biological macromolecule research, highlighting how technological advancements continue to fill the existing bridge and integrate the prior understanding of complex biomolecular systems while addressing persistent technical challenges in their characterization, with finesse.
Rabab Fatima, Bhupender Nehra, Biplab Debnath et al.· Critical reviews in analytic...· 0 citations
Global fruit production reached 953.8 million tonnes in 2024, generating peel residues of 15%-50% of fruit weight that are largely discarded despite containing polyphenols, carotenoids, dietary fiber, and enzymes of commercial value. Existing reviews address this in fragments, covering extraction, green solvents, or food applications alone, but none traces the full pipeline from raw peel to finished product. This review provides an integrated, critically evaluated assessment of the entire valorization chain: extraction, purification, characterization, biological evaluation, and application. Rather than cataloguing methods, we compare them against yield, solvent use, energy demand, environmental impact, and scalability. Ultrasound- and microwave-assisted extraction cut processing time by 70%-95% and solvent use by 50%-90%, while supercritical CO2 extraction offers selectivity for non-polar compounds at high cost. Purification is the least standardized step, with resin adsorption and membrane separation most scalable. Characterization suffers from inconsistent validation, with detection limits, recovery, and matrix effects often unreported. Peel bioactives act through defined pathways (NF-κB, PI3K/AKT/mTOR, apoptosis, Nrf2, AMPK/GLUT4), yet efficacy is often shown at concentrations exceeding achievable plasma levels, making bioavailability the principal translational barrier. This review will be valuable to researchers in food science, analytical chemistry, and pharmaceutical sciences by integrating these traditionally different stages and identifying the key challenges that limit industrial and clinical translation.
S. Ashique, Ashish Garg, Md Sadique Hussain et al.· Preparative Biochemistry & B...· 0 citations
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