Anti-microbial Perspective of a Chalcone, (E)-1-(1-methoxy-9H-carbazol-3-yl)-3-(4-(methylsulfonyl)phenyl)prop-2-en-1-one: Fabrication of a Hybrid by Unification of a Natural Product with a Synthetic Component

Murraya koenigii L. has been explored exhaustively and is known to possess more than 20 different carbazole-based alkaloids having multifarious therapeutic perception. Of this class of alkaloids, murrayanine is the highest explored alkaloid and is known to have (ethno)-pharmacological perspectives of purgative, astringent, febrifuge, anti-helminthic, anti-oxidant, anti-ulcerogenic, immunomodulation, etc. As murrayanine possess multiple sites for substituting wide-range of electron-donating / -withdrawing groups by semi-synthetic approach, in the present research, a chalcone; (E)-1-(1-methoxy-9H-carbazol-3-yl)-3-(4-(methylsulfonyl)phenyl)prop-2-en-1-one was fabricated rationally by incorporating a natural portion (murrayanine) in the A-ring and a synthetic component (4-methylsulfonyl group) in the B-ring and screened against two bacterial species (Escherichia coli and Staphylococcus aureus) and two fungal species (Candida albicans and Aspergillus niger). The rationally designed chalcone demonstrated noteworthy anti-microbial activity. The fabricated chalcone was observed to be a better anti-bacterial agent as compared to its anti-fungal potentials. As compared to the standard drugs, the experimental molecule does hold well against pathogenic challenges. The present research therefore opened new avenues of judiciously developing a natural scaffold having an active methylsulfonyl group, which will inspire life science researchers across the globe in developing inhibitors with pronounced biological activity as compared with the parent compounds

Anti-microbial Perspective of a Chalcone, (E)-1-(1-methoxy-9H-carbazol-3-yl)-3-(4-(methylsulfonyl)phenyl)prop-2-en-1-one: Fabrication of a Hybrid by Unification of a Natural Product with a Synthetic Component

Murraya koenigii L. has been explored exhaustively and is known to possess more than 20 different carbazole-based alkaloids having multifarious therapeutic perception. Of this class of alkaloids, murrayanine is the highest explored alkaloid and is known to have (ethno)-pharmacological perspectives of purgative, astringent, febrifuge, anti-helminthic, anti-oxidant, anti-ulcerogenic, immunomodulation, etc. As murrayanine possess multiple sites for substituting wide-range of electron-donating / -withdrawing groups by semi-synthetic approach, in the present research, a chalcone; (E)-1-(1-methoxy-9H-carbazol-3-yl)-3-(4-(methylsulfonyl)phenyl)prop-2-en-1-one was fabricated rationally by incorporating a natural portion (murrayanine) in the A-ring and a synthetic component (4-methylsulfonyl group) in the B-ring and screened against two bacterial species (Escherichia coli and Staphylococcus aureus) and two fungal species (Candida albicans and Aspergillus niger). The rationally designed chalcone demonstrated noteworthy anti-microbial activity. The fabricated chalcone was observed to be a better anti-bacterial agent as compared to its anti-fungal potentials. As compared to the standard drugs, the experimental molecule does hold well against pathogenic challenges. The present research therefore opened new avenues of judiciously developing a natural scaffold having an active methylsulfonyl group, which will inspire life science researchers across the globe in developing inhibitors with pronounced biological activity as compared with the parent compounds

Molecular Docking: Metamorphosis in Drug Discovery

Molecular docking is recognized a part of computer-aided drug design that is mostly used in medicinal chemistry. It has proven to be an effective, quick, and low-cost technique in both scientific and corporate contexts. It helps in rationalizing the ligands activity towards a target to perform structure-based drug design (SBDD). Docking assists the revealing of novel compound of therapeutic interest, forecasting ligand-protein interaction at a molecular basis and delineating structure activity relationships (SARs). Molecular docking acts as a boon to identify promising agents in emergence of diseases which endangering the human health. In this chapter, we engrossed on the techniques, types, opportunities, challenges and success stories of molecular docking in drug development

Pyrazole Scaffold: Strategies toward the Synthesis and Their Applications

Pyrazoles have a wide range of applications in medicinal chemistry, drug discovery, agrochemistry, coordination chemistry, and organometallic chemistry. Their popularity has skyrocketed since the early 1990s. Basically, Pyrazole (C3H3N2H) is a simple doubly unsaturated five membered heterocyclic aromatic ring molecule comprising two nitrogen (N) atoms at positions 1- and 2- and three carbon (C) atoms. Pyrazole nucleus is synthesized with various strategies such as multicomponent approach, dipolar cycloadditions, cyclocondensation of hydrazine with carbonyl system, using heterocyclic system and multicomponent approach. A special emphasis is placed on a thorough examination of response processes. Furthermore, the reasons for the increasing popularity of pyrazoles in several fields of science are examined. Pyrazoles have recently been the focus of many techniques, mostly because of how frequently they are used as scaffolds in the synthesis of bioactive chemicals and reactions in various media. The goal of this chapter is to discuss the current developments in synthetic techniques and biological activity related to pyrazole derivatives. The many pharmacological functions of the pyrazole moiety and different synthesis techniques were discussed. This chapter has summarized novel strategies and wide applications of pyrazole scaffold

Schiff Base as Multifaceted Bioactive Core

Schiff bases are the condensation products of primary amines and carbonyl compounds, which are becoming more and more significant. Schiff bases are imine or azomethine (–C=N–) functional group containing compounds that are produced through a nucleophile addition process. Excellent chelators called Schiff bases have a place in both qualitative and quantitative analysis of metals in aqueous media. Schiff bases were discovered to be auxiliary scaffolds and adaptable pharmacophore for the creation and production of numerous bioactive leads compounds, and this special quality made them accessible for a wide range of biological applications. Schiff bases exhibit significant biological properties including analgesic, anti-inflammatory, antibacterial, anticonvulsant, anti-tubercular, anticancer, antioxidant, anthelmintic antiglycation, and antidepressant activities. In situ cross-linked hydrogel systems are created using the Schiff bases, which are frequently utilized in coordination, organometallic chemistry, and tissue engineering applications. The role of Schiff bases to the design and creation of new lead with potential biological functions is highlighted in this chapter. Researchers’ interest in obtaining the most conclusive and suggestive information on the numerous Schiff bases that have been important for therapeutic purposes over the last few decades and their use in coordination complexes has been maintained by this bioactive core

Development of mosquito repellant gel formulations from various natural volatile oils: comparative study with the marketed formulation odomos®

DEET based mosquito repellents were found to be comparatively harmful to the person suffering from urea cycle disorders such as ornithine transcarbamylase (OTD) deficiency and, are therefore, contraindicated in individuals. These situations lead to the budding necessity of natural mosquito repellents which will have inexpensive, effectual, non-toxic, environment-friendly, and biodegradable attributes. Inspired from the upcoming global need, a carbopol 940 based mosquito repellant gel formulation was prepared from the essential oils of Cymbopogon nardus, Murraya Koenigii, Cymbopogon citratus, Tridax procumbens, Eucalyptus globules, and Azadirachta indica, and further evaluating them for their appearance, pH, viscosity, spreadability, extrudability, swelling index, and accelerated studies. The mosquito repellent potential was evaluated and simultaneously compared with the positive control (Odomos®). In several developing nations, where the majority of the people do not have access to mosquito net, high-cost mosquito repellant creams, and miscellaneous physical methods, this gel formulation may be an effective, inexpensive, and easily accessible way to prevent mosquito-borne diseases, like malaria, dengue, etc. in the lower sections of the society. Keywords: Mosquito, Repellent, Malaria, Gel, Formulation, DEET