Network pharmacology signifies a paradigm shift from the conventional “one-drug, one-target” model toward a systems-oriented framework that captures the multifactorial nature of disease. By integrating computational modeling, bioinformatics, and multi-omics technologies—spanning genomics, proteomics, and metabolomics it enables the systematic mapping and mechanistic interrogation of complex biological networks. Advanced in silico approaches, including molecular docking, network propagation algorithms, and topology-based analyses, facilitate the identification of pivotal targets and pathways, while artificial intelligence and deep learning enhance predictive accuracy. Open-access platforms such as STRING, STITCH, TCMSP, and DisGeNET support data integration, functional annotation, and hypothesis generation. Integrating these insights with chemical informatics and structure–activity relationship (SAR) data establishes a bridge between systems biology and medicinal chemistry, guiding scaffold optimization and multitarget drug design. Network pharmacology has transformed drug repurposing, validated traditional therapeutics, and advanced precision medicine by enabling rational prediction of synergistic drug combinations and improved disease stratification. Despite ongoing challenges such as data heterogeneity and computational complexity emerging machine learning strategies and expanding datasets continue to refine predictive capability. Collectively, this integrative and predictive framework redefines the landscape of bioorganic and medicinal chemistry, facilitating the rational design of safer, more efficacious, and mechanism-guided therapeutics.
15 September 2023 in International Journal of Pharmaceutical Chemistry and Analysis
Nowadays various drugs synthesized by various computational drug designs as well as various drugs have complex structure. Due to their complex structure, higher molecular weight which will increases solubility issues. Solubility is the most important and challenging task for researchers. Bioavailability and absorption of a drug depends on solubility of drug and thus we achieve pharmacological response. But poor aqueous solubility is a rate limiting step in bioavailability which made drug development more difficult. Drugs having low bioavailability require to be administered at a higher dose to achieve desired drug concentration in the systemic circulation and reach the target site. Thus, instead of getting desired effects drug produces side effects in the gastrointestinal tract. Hence, with the advancement of chemical science, the need of development of pharmaceutical technologies is also increasing. New techniques have been developed with a focus on enhancement of the solubility and oral bioavailability of poorly water-soluble drugs. The present review focuses on new technologies which are being used to resolve solubility issue of poorly soluble drugs which is the rate limiting step in bioavailability.
9 October 2025 in Annales Pharmaceutiques Françaises
Derivatization is the process of chemically modifying a compound to develope a new compound which has properties that are suitable for analysis using HPLC. Derivatization improves the detectability of a target analyte by reaction with suitable derivatizing agent. Derivatization reactions are simple chemical modification of substance that make it compatible with the selected separation method or transforms substance with a low UV- absorption into highly sensitive product. Derivatization reactions in liquid chromatography modify the solutes adding a chomophore for easy UV detection or a fluorophore for sensitive fluorescent detection. The chemical structure of the compound remains same and just modifies the specific functional group for reacting compounds to derivative of deviating chemical and physical properties in order to make them detectable. Introduction of certain elements or groups through chemical derivatization may enhance the detector’s response helpful for the elucidation of structure of analytes. In conclusion, the present review describe various derivatization reagents for pre-column and post column derivatization process in HPLC by UV-visible and fluorescence detection are summarized along with reactions and some practical aspects. The commonly used derivatizing reagents in HPLC are 1-fluoro-2, 4-dinitrobenzene, ninhydrine, 4-N-N-dimethylaminoazobenzene-4’-sulfonyl chloride, benzoyl chloride, phenyl isocyanate for UV-visible detection and o-phthalaldehyde, fluorescamine, 1-dimethylaminonapthalene-5-sulfonyl chloride (DNS-Cl), 9-fluorenylmethyl chloroformate (Fmoc-Cl), benzofurans for Fluorescence detection.
: A novel series of Apigenin bioisosteres [1(4-chlorophenyl)-3-phenyl prop-2-ene-1-one] non-cyclic derivatives (4a-4c) and [7-hydroxy-2-phenyl-4H-chromen-4-one] cyclic derivatives (9a- 9d) were synthesized. The newly synthesized apigenin bioisosteres were confirmed using UV, IR, NMR, and mass spectroscopic methods. The antioxidant, antibacterial, and anti-cancer activities of all newly synthesized compounds were assessed using the DPPH free radical scavenging capacity, disc diffusion method, and in vitro MTT assay on the human breast cancer MCF-7 cell line. Almost all the synthesized apigenin bioisosteres had greater antioxidant and antimicrobial activity than standard Apigenin. Out of seven compounds (4a-4c and 9a-9d), five compounds were found to exhibit notable antiproliferative activity on the breast cancer cell line (MCF-7), whereas two compounds, 9c and 9d, did not show notable activity. Our analysis suggests that synthesized Apigenin bioisosteres function as prospective antioxidant, antimicrobial, and anticancer agents.
Currently, the main focus of anticancer drug development and research is to develop anticancer treatment strategies that are both less harmful and more effective. Flavones, a subclass of flavonoids, have shown great promise in the advancement of anticancer drugs because of their strong bioactive properties. Fruits, vegetables, and medicinal plants are abundant sources of these naturally occurring compounds, which have a variety of biological activities such as anti-inflammatory, anti-cancer, and antioxidant properties. Flavones and their derivatives have attracted a lot of attention recently because of their potential to modify significant molecular pathways that are involved in the growth, apoptosis, angiogenesis, and metastasis of cancer cells. The objective of this review is to present a thorough analysis of the chemical makeup of flavone as an anticancer agent. By altering the flavone scaffold';s structure, there are beneficial chances to improve its therapeutic qualities, such as its potency, selectivity, and pharmacokinetics. The structural alterations of flavone derivatives that improve their anticancer potency and selectivity are highlighted. Most noteworthy, flavones offer a promising framework for the creation of new anticancer medications, and further research into them may help create more potent and focused cancer treatments.