Browsing by Author "Abhijeet Kumar"

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Energy-efficient Approach to Multicomponent Reaction for the Synthesis of Therapeutically Relevant Heterocycles
(Bentham Science Publishers, 2023) Ritwik Roy; Rahul Kumar; Md. Nurul Ansari; Gauri S. Deshmukh; Animesh Kumar Rai; Garima Tripathi; Abhijeet Kumar
Multi-component reactions have been used as an important synthetic strategy for the synthesis of diverse varieties of therapeutically useful heterocyclic scaffolds. High atom economy, one-pot reaction, and involvement of synthetically simple steps are some of the interesting features that make MCRs greener compared to conventional methods. The development of environmentally benign and eco-friendly synthetic methods has been a very demanding area of research in the past few decades. In particular, the development of energyefficient methods has attracted the attention of the research community due to heavy dependence on non-renewable energy resources, which is depleting fast. Therefore, the present review has highlighted the multi-component reactions developed under the energy efficient protocol, which mainly include the reactions developed under the microwave, ultra-sonication, mechanochemical, and photochemical reaction conditions for the synthesis of therapeutically relevant heterocycles. © 2023 Bentham Science Publishers.
Flavonoids and their Conjugates: Potential Molecules for Therapeutics
(Bentham Science Publishers, 2025) Prerna Kumari; Anuradha Ambasta; Pradeep Harish Kumar; Sindhumani; Abhijeet Kumar; Garima Tripathi
Plants can produce a wide range of bioactive compounds. High concentrations of phytochemicals prevent the accumulation of free radical damage in fruits and vegetables. Flavonoids a group of natural products with different phenolic structures are found in fruits, vegetables, grains, bark, roots, stems, flowers, tea, and wine. These natural products are known for their health benefits, and thus efforts are being made to isolate these flavonoids. Flavonoids are now recognised as important components of many nutraceutical, medical, pharmaceutical, and cosmetic products. This is attributed to their antioxidant, anti-inflammatory, anti-mutagenic, and anti-cancer properties and their ability to alter the activity of important cellular enzymes. Information about how flavonoids work is still not fully understood. However, it has been widely known that plant-derived derivatives have had many biological activities for centuries. Current flavonoid research and development trends include the isolation, identification, characterisation, and activity of flavonoids and their potential health benefits. Bioinformatics information is also used to estimate economic potential and productivity. This article discusses current research, mechanisms of action, functions, and uses of flavonoids, predictions of flavonoids as potential anti-inflammatory agents, and future recommendations. Due to the antioxidant, anti-proliferative, anti-tumour, anti-microbial, estrogenic, acetylcholinesterase, and anti-inflammatory activities of flavonoids they are also used as therapeutics in cancer, cardiovascular diseases, neurodegenerative diseases, and other diseases. It also covers the mechanism of action of flavonoids, which highlights the role of flavonoids as kinase inhibitors and their effect on membrane-bound receptors. Tyrosinase is involved in several human pigmentation-related diseases, among which hyperpigmentation can be treated by using flavonoid-based drugs as tyrosinase inhibitors. This review will provide researchers in the discipline of medicinal chemistry with the opportunity to develop options, improve quality, and use various flavonoid derivatives and their conjugates as therapeutics and in the treatment of various diseases. © 2025 Bentham Science Publishers
Green Chemistry: Introduction, Application and Scope
(Springer Nature, 2022) Vinod K. Tiwari; Abhijeet Kumar; Sanchayita Rajkhowa; Garima Tripathi; Anil Kumar Singh
This book summarizes fundamentals and advanced topics of green chemistry and highlights the importance and impact of green chemistry over traditional synthetic methods. It discusses about the importance and scope of the catalytic protocols in green chemistry and their application in daily life. Alternate green energy approaches discussed in this book underline the importance of efficiency enhancement with simultaneous energy demand reduction by replacing the dependence on non-renewable energy resources. Various topics covered in this book include green solvents, energy-efficient approach for organic synthesis, catalysis, biocatalysis, and green approach in pharmaceutically important molecules and drugs. The book will be a valuable reference for beginners, researchers, and professionals interested in sustainable green chemistry and their scope in allied fields. © The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2022.
Green chemistry: Opportunity in drug discovery research (part 1)
(Bentham Science Publishers, 2021) Vinod K. Tiwari; Abhijeet Kumar; Sanchayita Rajkhowa
[No abstract available]
Green Chemistry: Opportunity in Drug Discovery Research (Part 2)
(Bentham Science Publishers, 2021) Vinod K. Tiwari; Abhijeet Kumar; Sanchayita Rajkhowa
[No abstract available]
Novel 3,4-diarylpyrazole as prospective anti-cancerous agents
(Elsevier Ltd, 2020) Vivek Pandey; Garima Tripathi; Dhruv Kumar; Abhijeet Kumar; Pawan K. Dubey
Cancer is a leading cause of death globally. Despite therapeutic advancements the mortality rate of cancer is continuously increasing. Thus, it is important to identify and design potential therapeutic agents which can specifically bind with most common targets of cancer and inhibit tumor progression. The present work discloses the potential therapeutic application of the novel 3,4-diaryl 1H-pyrazoles as prospective anti-cancerous agent. The in silico molecular docking studies performed with 3,4-disubstituted pyrazoles as ligand with targets including DNA, BCL-2 and F1-ATP Synthase revealed strong binding affinity with DNA (-7.5 kcal/mol), BCL-2 (-8.1 kcal/mol) and F1-ATP Synthase (-7.2 kcal/mol). Furthermore, the in silico finding was validated with the in vitro cytotoxicity assay with human breast cancer cell line (MDA-MB-231). MDA-MB-231 cells treated with 3,4-diarylpyrazole resulted in an increase in annexin-V positive cells, production of reactive oxygen species (ROS), dissipation of the mitochondrial membrane potential and activation of caspase-3. Taken together, this study demonstrate that a novel synthesized 3,4-diarylpyrazoles, showed strong binding affinity against DNA, anti-proliferative activity and executed apoptosis through ROS-dependent caspase-3-mediated mitochondrial intrinsic apoptotic pathway against MDA-MB-231 cells. These findings increase our understanding of the molecular mechanism (s) by which 3,4-diarylpyrazoles can exert their anticancer activity and may contribute towards development of novel therapeutic agent against breast cancer. © 2020 The Author(s); Pyrazole; Molecular docking; Apoptosis; Reactive oxygen species; MDA-MB-231; Chemistry; Organic chemistry; Pharmaceutical chemistry; Biological sciences; Cell biology; Bioinformatics © 2020 The Author(s)
Room-Temperature Ionic Liquids in Glycoscience: Opportunities and Challenges
(Bentham Science Publishers, 2021) Sanchayita Rajkhowa; Raju R. Kale; Jyotirmoy Sarma; Abhijeet Kumar; Prabhu P. Mohapatra; Vinod K. Tiwari
Carbohydrates are fascinating molecular scaffolds known for their diverse applications in chemistry, biology, medicine, technology, and materials science. In addition, owing to the notable features of Room-Temperature Ionic Liquids (RTILs) such as high-yield, short reaction time, simple handling, excellent recyclability, and environmentally benign nature, they have been extensively utilized as green solvents, catalysts, or both in a wide range of organic transformation methodologies for easy access of a diverse range of biologically relevant molecules. This review highlights the importance of RTILs that offer promising solutions in glycoscience, particularly in relevance to the dissolution, functionalization, glycosylation, and modification of carbohydrates as well as their challenges, impact, and future perspectives. © 2021 Bentham Science Publishers.
Solvent-free Approaches towards the Synthesis of Therapeutically Important Heterocycles
(Bentham Science Publishers, 2024) Ambarish Priyadarshan; Garima Tripathi; Anil Kumar Singh; Sanchayita Rajkhowa; Abhijeet Kumar; Vinod Kumar Tiwari
The development of synthetic methodologies to obtain a diverse range of heterocyclic scaffolds has been a very attractive area of research due to their vast therapeutic importance. Conventional approaches that require the use of organic solvents, which are generally flammable, toxic, and not eco-friendly, are replaced either with greener alternatives or by completely avoiding their use. In literature, several solvent-free methods have already been reported for the synthesis of vast varieties of organic compounds. This review focuses on the solvent-free methods developed for the synthesis of different types of nitrogen and oxygen heterocycles which have exhibited diverse therapeutic applications. © 2024 Bentham Science Publishers.
Synthesis of biologically relevant heterocyclic skeletons under solvent-free condition
(Elsevier, 2021) Garima Tripathi; Abhijeet Kumar; Sanchayita Rajkhowa; Vinod K. Tiwari
Heterocyclic compounds play an important role in drug discovery and development and therefore tremendous efforts have been made to develop convenient and green routes for their high yielding synthesis. In view of high impact of toxic organic solvents on health, environment, safety, and moreover, the overall cost of desired products, this chapter exclusively emphasizes on the solvent-free synthetic methodologies employed for the generation of heterocyclic skeletons of promising pharmacological importance. It mainly includes the synthesis of nitrogen and oxygen containing heterocycles as they represent a major proportion of the bioactive heterocyclic compounds as well as marketed drugs. © 2021 Elsevier Inc. All rights reserved.
Synthesis, crystallographic study, in silico and in vitro investigation of novel flavonol-amino acid conjugate as an anti-proliferative agent
(Elsevier B.V., 2025) Prerna Kumari; Pradeep Harish Kumar; Rakesh Kumar Gupta; Anima Tripathi; Pawan Kumar Dubey; Anuradha Ambasta; Jayhind Kumar Chauhan; Joydeb Goura; Abhijeet Kumar; Garima Tripathi
In this article, a flavonol-Aib conjugate; {(4-oxo-2-phenyl-4-H-chromen-3-yl-2-((start-butoxy-carbonyl) amino)-2-methyl-propanoate) (3A)} has been synthesized, purified and characterized through 1H and 13C NMR, mass spectrometry and X-ray crystallography. X-ray crystallography of these molecules revealed that this is a flavonol-Aib conjugate; there is no intramolecular hydrogen bond, while two intermolecular H-bonds occur between two molecules of flavonol-Aib conjugate, between O2 of C=O (flavonol ring) and H1 (Aib NH) is 2.183Å. This intermolecular interaction generates a stacked two-dimensional (2-D) structure. There are weak interactions between H3 of the flavonol-benzene ring and H18B of the tertiary Butyl-CH3 is 2.804Å., and the same H3 interaction with other molecules' H14 of phenyl of substituted flavonol is 2.332Å. The distance between O2 of C=O (flavonol ring) and H11 (other phenyl-substituted flavonol rings) is 2.610Å, giving a specific molecular conformation. A complete molecular structure investigation of the molecule shows that several inter- and intramolecular weak to strong interactions lead to a peculiar array of molecules in two and three dimensions. In silico studies, molecular docking via Auto doc vina reveals that flavonol with 2-aminoisobutyric acid conjugate, among conjugates of different amino acids (glycine, alanine, valine, leucine, Isoleucine), Aib conjugate shows highest binding affinity with CDC42 (-7.7), BCL2L1 (-8.9), GSK3B (-6.8), MAPK1 (-8.8), PPARG (-7.4), ICAM1 (-7.8), MMP9 (8.0), BCL2 (-8.9), ERBB2 (-9,0), HSP90A1 (9.5) gene. The result of in vitro studies exhibits remarkable inhibitory ability with IC50 values of 400 µg/ml. The overall outcome indicates that flavonol conjugated with 2-aminoisobutyric acid (Aib) can inhibit the growth of the MCF-7 cancer cell line by targeting multiple biological pathways. © 2025
THPM (1,2,3,4-Tetrahydro pyrimidine) and Berberine Exhibit Synergistic Impact on Inhibition of Cell Migration and Colonization Through ROS-Mediated Apoptotic Pathways in the Breast Cancer Cells
(John Wiley and Sons Inc, 2025) Rakesh Kumar Gupta; Ambarish Priyadarshan; Sonal Tiwari; Yashvant Patel; Arun K. Bind; Garima Tripathi; Anima Tripathi; Abhijeet Kumar; Pawan Kumar Dubey
Breast cancer is one of the major causes of death in females worldwide. Considering the polypharmacological trend, small molecules like pyrimidine along with berberine, a bioactive anticancer agent may act as effective anticancer drugs having multiple targets with minimal side effects. However, it has never been tested. The present work discloses the efficacy of the combination of 1,2,3,4,-Tetrahydro pyrimidine (THPM) and Berberine (BBR) in inhibiting cancer progression in human breast cancer cell line, i.e., MCF-7. THPM were synthesized and characterized, and their anti-cancerous potential was evaluated by in silico study. The MCF-7 cells were exposed in vitro with THPM (200 µM), BBR (20 µM/ml) alone or in combination of THPM + BBR (200 µm + 20 µm/ml) for 24 h. Intracellular ROS, annexin-V staining, cell migration, colony formation assay, and gene expression analysis were performed. THPM and BBR both exhibited solid binding affinity against the BCL-2 protein. Interestingly, co-treatment of THPM + BBR significantly increased ROS level, annexin-V positive cells, the expression level of Bax, and Caspase-3 and inhibited migration and proliferation of MCF-7 cells. In conclusion, co-treatment of THPM + BBR exhibits a synergistic impact via inhibiting cell proliferation and inducing ROS-mediated apoptosis in MCF-7 cells suggesting that THPM and BBR could be used as novel therapeutic agents against breast cancer. © 2025 Wiley-VCH GmbH.
Transition-Metal Free Arylation of Therapeutically Important Heterocycles
(John Wiley and Sons Inc, 2024) Ambarish Priyadarshan; Garima Tripathi; Naresh Murty Venneti; Kaushal Kishor; Anil Kumar Singh; Abhijeet Kumar
The transition-metal-free synthesis of organic compounds especially heterocycles is in resonance with one of the twelve principles proposed by Prof. Paul Anastas in his renowned work towards the sustainable development of green chemistry. Traditional-metal-catalyzed reactions often involve expensive or toxic metal catalysts, and there is a growing interest in developing more sustainable and environmentally friendly methods. The arylation of heterocycles is an important area of research in organic chemistry, particularly in the synthesis of biologically active compounds and pharmaceuticals. Arylation of heterocycles at different positions enhances the potency and stability of biologically and pharmaceutically important scaffolds. In this review, an overview of the synthetic protocols developed for the arylation of a variety of heterocyclic compounds including, pyrroles, pyridines, thiophene, indole, oxindoles, purines, xanthene, etc. has been described. © 2024 Wiley-VCH GmbH.