Biological evaluation of trans-2,3-dihydrofuro[3,2-c]coumarins as potential cathepsin inhibitors and anticancer agents.

Novel trans-2,3-dihydrofuro[3,2-c]coumarins were synthesized and assessed for their inhibition potential against cysteine proteases: cathepsin B, H and L which are the possible targets for anticancer activity. In general, the coumarin derivatives were found to be exceptional inhibitors against this class of enzymes. On the basis of molecular modeling data and structure-activity relationships, their inhibition patterns are also discussed.

Molecular modeling of cellulose tosylate immobilized α-amylases: An in silico case study through MD simulation and refinement.

The use of enzymes as catalysts in industrial processes has been studied, and they offer more ecologically friendly options for chemical reactions. In the current work, we investigated the potential of molecular modeling to solve the ordinarily difficult problem of identifying the amino acids involved in the covalent mode of immobilization by in silico investigations. The immobilized α-Amylase on Cellulose tosylate (henceforth referred to as Celltos) shows extra peaks of OH and NH, CN, SO, C-O-C, and CS.

Innovative Pyrazole Hybrids: A New Era in Drug Discovery and Synthesis.

Heterocyclic compounds that include nitrogen and their derivatives have long been regarded as excellent sources of medicinal substances. Pyrazole is a compound with two nitrogen atoms and an aromatic structure. It has several uses and intricate stereochemistry arranged in a five-membered ring.

Synthesis, Biological Evaluation, and Computational Studies of Schiff's Base Derivatives of 4-(4-Amino-5-Mercapto-4H-1,2,4-Triazol-3-Yl)Benzenesulfonamide as Cathepsin B Inhibitors.

A library of benzenesulfonamide incorporated Schiff's base derivatives of 4-amino-5-mercapto-1,2,4-triazoles 1a-f, 2a-e, and 3a-e has been synthesized and evaluated in-vitro for their inhibition potential against cathepsin B enzyme. All the tested compounds possessed good to excellent anti-cathepsin B activity (40.62%-74.

Cinnamaldehyde as a Potential Cathepsin-B Inhibitor: A Comparative Investigation with some Commercial Anticancer Drugs.

Cancer is a leading cause of death worldwide, surpassed only by heart disease. Despite improved diagnosis and treatment, cancer cells still evade normal physiological processes such as apoptosis, metabolism, angiogenesis, cell cycle, and epigenetics. To mitigate the numerous side effects linked to chemotherapy, leveraging natural products emerged as a promising alternative, either alone or in tandem with traditional agents.