Enhancing knowledge acquisition and engagement in medicinal chemistry: The role of interactive video modules in pharmacy education.

Cellular responses to morpholinated curcumin derivatives in human muscle-invasive bladder cancer cells.

A ninhydrin-based colorimetric assay for monitoring (S)-Norcoclaurine synthase activity through dopamine quantification.

Further development of cinnamodial analogues as mosquito (Aedes aegypti) toxicants for vector control.

"Metal-based compounds in antiviral and Antiparasitic research: Mechanistic insights from HIV NCp7 and leishmaniasis case studies".

Design, synthesis and evaluation of novel BRD4 and RIPK3 dual inhibitors as potential anti-inflammatory agents and antidotes for arsenicals.

5,6,7,8-Tetrahydroimidazo[1,2-a]pyrazine-based thiosemicarbazones as anti-Trypanosoma cruzi agents.

Receptor-interacting protein kinase 2 (RIPK2): Structural insights, pathophysiological roles, and medicinal chemistry advances in inhibitor design.

Dual-target antioxidant potential of benzimidazole-based thiazine and N-tosylated analogues: computational insights into human 11β-HSD1 and Leishmania GSK-3α inhibition.

Due to the limitations of platinum-based chemotherapeutics such as cisplatin, including severe toxicity and acquired drug resistance, the development of alternative metal-based agents with improved efficacy and reduced side effects has become a key goal in medicinal chemistry. Among these, organotin(IV) compounds have attracted considerable interest owing to their potent antibacterial and anticancer properties. Since the pharmacological activity, transport, and bioavailability of such metal-based drugs are strongly influenced by their binding to plasma proteins particularly human serum albumin (HSA) understanding these interactions is essential for evaluating their invivo behavior and therapeutic potential. This study investigates the binding behavior of the organotin(IV) complex [SnMe2Cl2(Me2phen)] with HSA under physiological pH (7.4), utilizing both spectroscopic techniques and molecular docking studies. Upon addition of the complex, a decrease in HSA absorbance was observed, suggesting an interaction between the complex and the protein. Fluorescence quenching data, along with the calculated Stern-Volmer (Ksv) and bimolecular quenching (kq) constants, indicated a static quenching mechanism. Thermodynamic parameters (ΔH° < 0 and ΔS° < 0) implied that hydrogen bonding forces and van der Waals forces predominantly govern the binding process. Site-selective displacement assays with site-specific markers, warfarin and ibuprofen, suggested that the complex may associate with both Sudlow's site I and site II of HSA. Circular dichroism (CD) spectroscopy revealed a reduction in the α-helical content of HSA upon complexation, indicating partial conformational changes in the protein structure. Molecular docking results supported the experimental findings and provided further insight into the binding mode of the complex with HSA.

Accurate and interpretable ADMET prediction: Integrating structural, geometric, and global molecular context representations.

An artificial intelligence model for accurate drug-target affinity prediction in medicinal chemistry.

α-Trifluoromethylated phosphonates are highly valued in medicinal chemistry and functional materials, yet their efficient synthesis remains challenging. Herein, we report a practical, transition-metal-free strategy for the rapid assembly of this important class of scaffolds via a one-pot, three-component reaction, using α-trifluoromethyl diazo compounds as key precursors together with readily accessible H-phosphites and benzyl bromides or alkyl halides. This mild reaction proceeds through a base-promoted, ordered nucleophilic attack sequence, enabling the simultaneous formation of C-C and C-P bonds and affording products bearing congested, fully substituted carbon centers in high yields (up to 98%). The selected products were predicted to have favorable pharmacokinetic properties based on in silico ADME analysis. This work provides a general synthetic route to α-trifluoromethylated phosphonates and highlights their broad application prospects in drug discovery and functional materials development.

4-Aminoquinoline hybrids as anticancer agents: Advances in synthesis, medicinal chemistry, and structure-activity relationships

Carbamoyl fluorides as serine hydrolase inhibitors: a case study on FphI from Staphylococcus aureus.

Cysteine-aspartic protease-1 (Caspase-1), the terminal effector of canonical inflammasome signaling, represents a validated yet pharmacologically underexploited target at the convergence of inflammatory pathology and pyroptotic cell death. Although three peptide-based inhibitors-Ac-YVAD-CMK, Z-YVAD-FMK, and Ac-YVAD-CHO-have long served as prototypical experimental standards, their structural determinants, structure-activity relationships, and developmental liabilities have not been systematically reassessed from a medicinal chemistry perspective. Integrating evidence from 144 studies (2015-2025), this review rigorously interrogates these archetypal scaffolds as both pharmacological probes and foundational templates for inhibitor design. We delineate how C-terminal warhead chemistry (chloromethyl ketone, fluoromethyl ketone, and aldehyde) dictates covalency, reversibility, and kinetic selectivity, while N-terminal capping strategies modulate membrane permeability, metabolic stability, and systemic exposure. By correlating chemical architecture with caspase selectivity, off-target engagement, and context-dependent efficacy across inflammatory, infectious, autoimmune, and oncologic models, we define structure-kinetics-pharmacology relationships that govern selectivity, durability, and in vivo predictability. Persistent barriers-including inadequate pharmacokinetic characterization, metabolic fragility, broad caspase cross-reactivity, and limited scaffold diversification-are identified as principal impediments to the clinical translation of all three prototypical inhibitors. By repositioning these legacy peptide inhibitors as foundational chemical templates for translational optimization, this synthesis establishes design principles centered on kinetic selectivity, rational warhead refinement, and context-guided optimization, and outlines strategic pathways for the development of selective, clinically viable Caspase-1-targeted therapeutics.

NeuroBACE-ML: A reliability-aware screening framework for high-throughput prioritization of potent BACE1 inhibitors.

Therapeutic targeting of tricarboxylic acid cycle and oxidative phosphorylation: a critical analysis of metabolic interventions in cancer treatment.

Targeting WRN helicase in MSI-H tumors: Synthetic lethality, small molecule discovery, and therapeutic perspectives.

C-C conjugated carbohydrate-porphyrin hybrid: Its therapeutic potential in photodynamic therapy and cellular uptake studies.