Browsing by Author "Shreni Agrawal"

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An introduction to nanopriming for sustainable agriculture
(IGI Global, 2023) Shreni Agrawal; Richa Das; Shivangee Solanki; Simran Choudhury; Indrani Bhattacharya; Pradeep Kumar; Amit Kumar Singh; Sunil Kumar Mishra; Kavindra Nath Tiwari
Plant seeds are of paramount importance in the agricultural sector as well as plant life cycle, and are being severely threatened by environmental changes such as biotic and abiotic stress, resource deficiency, climate fluctuation, etc. Cue, nano¬priming, a nascent yet innovative approach to seed technology, combining versatility of nanoparticles and engineered nanomaterials with 'seed-priming' to induce adaptive physiological changes, thus, improving seed quality and crop yield. This study reported mechanisms by which nano-priming synchronizes seed germination, breaks seed dormancy, boosts seed vigor, increases tolerance to periodic stress conditions, assists phyto-microbiota to thrive under environmental uncertainties, creates nanopores in shoots along with upregulation of aquaporin genes for better water uptake, and other reported changes at molecular, biochemical level. Withal, this study offers insight on the future of nano-priming when blended with cutting- edge technologies like cold plasma, artificial intelligence, and digital analysis to revolutionize the agrarian sector. © 2023, IGI Global. All rights reserved.
Application of Nano-Biochar to Improve Soil Quality and Sustainability
(Apple Academic Press, 2025) Shreni Agrawal; Pradeep Harish Kumar; Richa Das; Amit Kumar Singh; Praveen Kumar Shukla; Pooja Verma; Vishnu D. Rajput; Indrani Bhattacharya; Sunil Kumar Mishra; Kavindra Nath Tiwari
The Green Revolution has been beneficial in promoting the growth of human civilization, but it has also degraded the soil, destroyed biodiversity, and accelerated climate change. Advanced nanomaterials, including nano-biochar, have provided prolonged solutions for a wide range of current challenges. Nano-biochar is a specialized form of biochar with a structural size on the nanometer scale featuring better morphological and physiochemical properties. Nano-BC application improves soil qualities, making it better suited for plant growth and development. By enhancing soil porosity, resistivity, and water-holding capacities—all crucial for sustaining soil activity—Nano-BC offers an ideal soil habitat for bacteria. Biomass is pyrolyzed to produce the bulk parent biochar, which is then mechanically processed using various milling methods to generate nano-biochar. Different types of nano-biochar, such as biochar nanocomposites, magnetic nano-biochar, functional nanoparticles coated nano-biochar, and colloidal biochar, have greater environmental applications than normal biochar, such as improving plant growth, removing pesticides from soil, adding fertilizer, microbial growth, and managing disease. A large surface area, high degree of crystallinity, high nutritional quality, and good chemical group concentrations are a few of the distinctive characteristics of nano-biochar. The features of biochar basically depend on biomaterials that were utilized and the pyrolysis circumstances, with its distinctiveness resting on its large specific surface area and a constant source of carbon, which predispose to superior crop responses and soil health. These chapters discuss the production, types, and various applications of nano-biochar, as well as their significant contributions to agriculture, particularly in soil development. © 2025 by Apple Academic Press, Inc.
CRISPR Plants against Fungal Diseases: Methods and Applications
(CRC Press, 2025) Lara Jadhav; Richa Das; Shreni Agrawal; Indrani Bhattacharya; Pradeep Harish Kumar; Amit Kumar Singh; Vishnu D. Rajput; Tatiana Mikhailovna Minkina; Kavindra Nath Tiwari; Sunil Kumar Mishra
There is a long list of fungal pathogens that severely affect the vegetation globally. Worldwide, 10–23% of crops are lost to fungal infections every year, and an additional 10–20% is lost post-harvest. Fungi have become a global threat to food security because of their capacity to grow exponentially. Conventional methods of disease control such as breeding for resistance and the use of chemical fungicides have shortcomings in terms of sustainability and effectiveness. However, clustered regularly interspaced palindromic repeat (CRISPR) plants have come to light as a significant tool in combating fungal diseases. CRISPR/CRISPR-associated (Cas) protein 9 (CRISPR/Cas9) is a revolutionary technology for gene editing based on an adaptive immune strategy observed in bacteria and archaea. The emergence of CRISPR technology has tremendously helped in the improvement of economically important crops because of its simplicity, cost-effectiveness, specificity, and user-friendliness. Researchers can improve the defense response of plants or stop the virulence factor expression in fungi. This chapter provides a brief summation of different methods of CRISPR technology in developing fungal disease-resistant plants. These methods involve using CRISPR technology to edit host plant genomes or by targeting fungal pathogens. We have also focused on CRISPR-mediated gene regulation methods such as CRISPR interference (CRISPRi) and CRISPR activation (CRISPRa), which can help us to regulate the expression of specific genes involved in plant–fungal interaction. Another method involves a combination of RNA interference with CRISPR technology. Each method mentioned in this chapter is supported by examples of research studies conducted by different researchers and scientists. © 2025 Taylor & Francis Group, LLC.
Effects of Asiatic acid on brain cancer by altering astrocytes and the AKT1-PRKCB signaling pathway: A genomic and network pharmacology perspective
(Elsevier B.V., 2025) Amit Kumar Singh; Adarsh Kumar Pathak; Pradeep Harish Kumar; Anand Kumar Singh; Manjeet Kumar Sah Gond; Rohit Singh Negi; Richa Das; Shreni Agrawal; Sunil Kumar Mishra; Kavindra Nath Tiwari
The most common primary brain tumor, glioblastoma (GBM), currently has a dismal prognosis because of its fast growth and dissemination. Recent research indicates that Asiatic acid (AA), which is extracted from Trema orientalis L., has potential as a medicinal agent. AA, which was obtained from a methanolic extract of Trema orientalis L. and examined utilizing high-resolution mass spectroscopy (HRMS) analysis, was employed in this investigation. Then, in order to forecast the therapeutic advantages of AA in managing GBM, we conducted an in silico study. Online web servers like SwissADME, pKCSM, and Protox-II were used to assess AA. Then, the major targets of the AA (from Swiss Target Prediction and TargetNet) and GBM (from GeneCards and DisGeNET) were identified. The important genes were then merged into the STRING and ShinyGo databases to examine the protein–protein interaction (PPI) network, gene annotation, and KEGG pathways, with the goal of identifying the core mechanisms involved in GBM management. The top five hub gene targets of the built network (AKT1, SRC, IL-6, TNF, and EGFR) were investigated, along with some contemporaneous additional major targets (PRKCB, GSK3B, ITGB1, BRAF, and PTPN6). These targets were tightly linked to GO activities such as synoviocyte proliferation, cytokine activity, and EGFR tyrosine kinase inhibitor resistance, as well as proteoglycans in cancer-related pathways. Furthermore, a survival study was conducted to assess the chronicity of targets, as well as molecular docking activity between important targets and AA against GBM to determine binding effectiveness. Overall, the study found that AKT1 is the most powerful receptor for AA, having a binding energy of −8.19 kcal/mol, followed by PRKCB (−7.53 kcal/mol). Finally, docking studies suggest that AA has the potential to be an effective treatment for GBM. Furthermore, clinical studies will provide more precise insights into the AA's efficacy as a medicine in the future. © 2025 Elsevier B.V.
Green Nanofertilizers – The Need for Modern Agriculture, Intelligent, and Environmentally-Friendly Approaches
(Polskie Towarzystwo Inzynierii Ekologicznej (PTIE), 2024) Abdel Rahman Mohammad Al Tawaha; Abhishek Singh; Vishnu D. Rajput; Ashi Varshney; Shreni Agrawal; Karen Ghazaryan; Tatiana Minkina; Omar Mahmoud Al Zoubi; Talaat Habeeb; Lysenko Dionis; Hanan Aref Hasan; Samar Shawaqfeh
The distinctive qualities and wide array of possible applications of nanotechnology have garnered considerable attention. Nanotechnology offers a groundbreaking way for expanding agricultural output that is also ecologically benign, helpful to living things, and economically priced—all without losing quality. There is a growing trend towards using eco-friendly technologies as substitutes for conventional agricultural inputs, such as fertilizers and insecticides. With the aid of nanotechnology, the confines of conventional farming techniques can be overcome. As a result, it becomes essential for investigators to devote their energies to the noteworthy nanoparticles (NPs) in agriculture investigations that have been distributed. It offered a fresh perspective on the development and application of nanoparticles as nanofertilizers and nano-pesticides in agriculture and a way to heighten bio-factor execution. Furthermore, we discuss the relations of NPs with plants, the perils and putrefaction of nanomaterials in plants, and the utility of NPs in the reduction of stress triggered by heavy metal toxicity and abiotic factors. It is imperative that nano-fertilizers are practiced to reduce the environmental maltreatment caused by conventional, inorganic fertilizers. Nano-fertilizers are more sensitive and have the ability to penetrate the epidermis, empowering them to promote nutrient consumption efficiency while reducing nutrient overabundance. A study found that NPs may cause oxidative stress symptoms in higher plants if they adhere to cell surfaces or organelles. Understanding the benefits and drawbacks of using nano-fertilizers instead of conventional fertilizers is valuable, and it is the purpose of this book chapter to provide this information. © 2024, Polskie Towarzystwo Inzynierii Ekologicznej (PTIE). All rights reserved.
Green synthesis of silver nanoparticles using Trema Orientalis (L.) extract and evaluation of their antibacterial activity
(Taylor and Francis Ltd., 2025) Richa Das; Pradeep Harish Kumar; Amit Kumar Singh; Shreni Agrawal; S. Albukhaty; Indrani Bhattacharya; Kavindra Nath Tiwari; Sunil Kumar Mishra; Amit Kumar Tripathi; Faizah A. AlMalki; Azalldeen Kazal Alzubaidi; Wasan J. Al-Kaabi; Vishnu D. Rajput; Zaidon T. Al-Aqbi
A novel green method was developed to create pure, safe, and stable silver nanoparticles (AgNPs) using Trema orientalis (L.) leaf extract as a reducing and stabilizing agent and evaluated its antibacterial activity. UV-vis spectroscopy indicated the biogenesis of AgNPs based on the absorbance in the range of 400–500 nm. The Fourier transform infrared spectroscopy (FTIR) revealed that flavonoids play a crucial role in the synthesis and stability of green AgNPs, serving as the primary phytoconstituents involved. AgNPs were spherical, and crystalline in nature. The size ranged from 14.04–34.38 nm as determined by transmission electron microscopy (TEM). For phase determination of the crystalline structure, AgNPs were subjected to X-ray diffraction (XRD). The crystallinity percentage calculated was 79.28%. The investigation using atomic force microscopy (AFM) measured the average roughness, maximum height, and valley depth of AgNPs. The mean surface roughness measured was 12.054 nm. The well diffusion method demonstrated the antibacterial activity of AgNPs against Staphylococcus aureus, resulting in inhibition zones measuring 9, 10, 13, and 14 mm. These effects were observed at concentrations of 25 µg/mL, 50 µg/mL, 75 µg/mL, and 100 µg/mL, respectively. The minimum inhibitory concentration observed against S. aureus was 55.31 μg/ml. This work provides a more sustainable and efficient method of bacterial treatment. © 2024 The Author(s). Published by Informa UK Limited, trading as Taylor & Francis Group.
In silico and network pharmacology analysis of fucosterol: a potent anticancer bioactive compound against HCC
(Springer, 2024) Kajal Singh; Pradeep Kumar; Amit Kumar Singh; Nancy Singh; Sakshi Singh; Kavindra Nath Tiwari; Shreni Agrawal; Richa Das; Anuradha Singh; Bhuwal Ram; Amit Kumar Tripathi; Sunil Kumar Mishra
The Fucaceae family of marine brown algae includes Ascophyllum nodosum. Fucosterol (FSL) is a unique bioactive component that was identified through GC-MS analysis of the hydroalcoholic extract of A. nodosum. Fucosterol's mechanism of action towards hepatocellular cancer was clarified using network pharmacology and docking study techniques. The probable target gene of FSL has been predicted using the TargetNet and SwissTargetPred databases. GeneCards and the DisGNet database were used to check the targeted genes of FSL. By using the web programme Venny 2.1, the overlaps of FSL and HCC disease demonstrated that 18 genes (1.3%) were obtained as targeted genes Via the STRING database, a protein–protein interaction (PPI) network with 18 common target genes was constructed. With the aid of CytoNCA, hub genes were screened using the Cytoscape software, and the targets' hub genes were exported into the ShinyGo online tool for study of KEGG and gene ontology enrichment. Using the software AutoDock, a hub gene molecular docking study was performed. Ten genes, including AR, CYP19A1, ESR1, ESR2, TNF, PPARA, PPARG, HMGCR, SRC, and IGF1R, were obtained. The 10 targeted hubs docked with FSL successfully. The active components FSL of ASD, the FSL, are engaged in fatty liver disease, cancer pathways, and other signalling pathways, which could prove beneficial for the management of HCC. © The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2024.
Microbial Manganese Peroxidase: Ligninolytic Enzymes for Bioremediation
(Springer Nature, 2024) Abhishek Singh; Ragini Sharma; Vishnu D. Rajput; Karen Ghazaryan; Tatiana Minkina; Abdel Rahman Mohammad Said Al-Tawaha; Shreni Agrawal; Ashi Varshney; Abdel Razzaq Al-Tawaha; Arun Karnwal
The industrial applications of ligninolytic enzymes of microbes such as lignin peroxidase, laccase, and manganese peroxidase have increased in popularity. In the microbial ligninolytic system, manganese peroxidases play a significant role. Oxalic acid and other fungal chelators help convert the Mn (II) ions from soil and wood into Mn3+ form which is more reactive. The phenolic lignin is broken down and free radicals are produced, but Mn3+, a less molecular weight molecule, functions as a diffusible redox intermediary. The alcohol, biofuel, food, cosmetic, agricultural, and textile industries are just a few of the many that could benefit from this technology. The mechanisms for catalytic reactions, biotechnological technological applications, and sources are the primary focuses of this review. Manganese peroxidases, however, can degrade a wide variety of xenobiotic compounds and generate polymeric products that can be used as effective bioremediation instruments. Microorganisms called MnPs can break down lignin into sugars that can then be used to produce biofuels. This chapter focuses mainly on the contemporary state and recent advancements pertaining to the manganese peroxidase enzyme. © The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2024.
Nano- and Nano-Biochar: Overview, Production, and Characteristics
(Apple Academic Press, 2024) Pradeep Kumar; Kajal Singh; Amit Kumar Singh; Nancy Singh; Sakshi Singh; Shreni Agrawal; Richa Das; Vishnu D. Rajput; Tatiana Minkina; Sunil Kumar Mishra; Kavindra Nath Tiwari
The global climate is shifting due to emissions of greenhouse gases and changes in agricultural practices. The atmosphere is being exposed to an increasing number of carbon-based molecules and pollutants as a result of human population growth, expanding factory output, and expanding agronomic practices. As a result, not only is wasted energy produced, but the atmosphere is also contaminated. With suitable techniques and management, these emissions could be converted to charcoal solids. Such carbon-based materials, often known as “biochar,” are used in a wide range of industries, particularly agricultural production. Because of its crystalline characteristics, biochar can also be referred to as nano biochar (NBC). By using certain procedures, biochar can be transformed into NBC. In this case, the physiological and biological attributes of this valuable substance improve while better methods are used to reduce pollution discharges, remediate soil, produce energy, and manage waste. The planting area has recently expanded in an effort to increase crop yield. Scientists and farmers are now seeking ways to increase productivity per unit area as this technique has changed significantly. However, in other cases, increased production per unit area puts pressure on the cultivated land. If the situation is not properly managed, the soil will be overharvested of these essential nutrients, and eventually, the topsoil will be depleted of them. In certain circumstances, it is best to incorporate soil treatments. The soil is given various modifications to help with its physicochemical and biological features. Biochar is one of these materials that also improves the effectiveness of fertilizers and irrigation water. NBC enhances the conditions for crop growth and aids in effective soil conservation. © 2025 by Apple Academic Press, Inc.
Nano-assisted delivery tools for plant genetic engineering: a review on recent developments
(Springer, 2024) Pradeep Kumar; Vishnu D. Rajput; Amit Kumar Singh; Shreni Agrawal; Richa Das; Tatiana Minkina; Praveen Kumar Shukla; Ming Hung Wong; Ajeet Kaushik; Salim Albukhaty; Kavindra Nath Tiwari; Sunil Kumar Mishra
Conventional approaches like Agrobacterium-mediated transformation, viral transduction, biolistic particle bombardment, and polyethylene glycol (PEG)-facilitated delivery methods have been optimized for transporting specific genes to various plant cells. These conventional approaches in genetically modified crops are dependent on several factors like plant types, cell types, and genotype requirements, as well as numerous disadvantages such as time-consuming, untargeted distribution of genes, and high cost of cultivation. Therefore, it is suggested to develop novel techniques for the transportation of genes in crop plants using tailored nanoparticles (NPs) of manipulative and controlled high-performance features synthesized using green and chemical routes. It is observed that site-specific delivery of genes exhibits high efficacy in species-independent circumstances which leads to an increased level of productivity. Therefore, to achieve these outcomes, NPs can be utilized as gene nano-carriers for excellent delivery inside crops (i.e., cotton, tobacco, rice, wheat, okra, and maize) for desired genetic engineering modifications. As outcomes, this review provides an outline of the conventional techniques and current application of numerous nano-enabled gene delivery needed for crop gene manipulation, the benefits, and drawbacks associated with state-of-the-art techniques, which serve as a roadmap for the possible applicability of nanomaterials in plant genomic engineering as well as crop improvement in the future. © The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature 2024.
Nano-assisted delivery tools for plant genetic engineering: a review on recent developments
(Springer, 2025) Pradeep Harish Kumar; Vishnu D. Rajput; Amit Kumar Singh; Shreni Agrawal; Richa Das; Tatiana Mikhailovna Minkina; Praveen Kumar Shukla; Ming Hung Wong; Ajeet K. Kaushik; S. Albukhaty; Kavindra Nath Tiwari; Sunil Kumar Mishra
Conventional approaches like Agrobacterium-mediated transformation, viral transduction, biolistic particle bombardment, and polyethylene glycol (PEG)-facilitated delivery methods have been optimized for transporting specific genes to various plant cells. These conventional approaches in genetically modified crops are dependent on several factors like plant types, cell types, and genotype requirements, as well as numerous disadvantages such as time-consuming, untargeted distribution of genes, and high cost of cultivation. Therefore, it is suggested to develop novel techniques for the transportation of genes in crop plants using tailored nanoparticles (NPs) of manipulative and controlled high-performance features synthesized using green and chemical routes. It is observed that site-specific delivery of genes exhibits high efficacy in species-independent circumstances which leads to an increased level of productivity. Therefore, to achieve these outcomes, NPs can be utilized as gene nano-carriers for excellent delivery inside crops (i.e., cotton, tobacco, rice, wheat, okra, and maize) for desired genetic engineering modifications. As outcomes, this review provides an outline of the conventional techniques and current application of numerous nano-enabled gene delivery needed for crop gene manipulation, the benefits, and drawbacks associated with state-of-the-art techniques, which serve as a roadmap for the possible applicability of nanomaterials in plant genomic engineering as well as crop improvement in the future. © The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature 2024.
Nanoparticle, Types, and Approaches for Improving Soil Health
(Apple Academic Press, 2025) Richa Das; Pradeep Harish Kumar; Shreni Agrawal; Amit Kumar Singh; Praveen Kumar Shukla; Pooja Verma; Vishnu D. Rajput; Indrani Bhattacharya; Sunil Kumar Mishra; Kavindra Nath Tiwari
Soil is Earth’s most important natural resource for sustaining life. Soil health is a critical factor in crop development. Nevertheless, as a result of both natural and anthropogenic factors, the soil’s health to support crop development and production deteriorates with time. Factors such as excess salinity, drought, unavailability of nutrients due to volatilization or low solubility, and heavy metals impact soil health. These factors also create an imbalance of soil microflora. Irrational use of fertilizers and climatic © 2025 by Apple Academic Press, Inc.
Nanoparticles for crop improvement and management
(De Gruyter, 2024) Richa Das; Pradeep Kumar; Shreni Agrawal; Kajal Singh; Nancy Singh; Sakshi Singh; Jyoti Vishwakarma; Vishnu D. Rajput; Amit Kumar Singh; Tatiana M. Minkina; Indrani Bhattacharya; Sunil Kumar Mishra; Kavindra Nath Tiwari
Agriculture is the mainstay, especially for developing countries. Climate changes globally and a rapidly expanding population are posing new challenges to food security, necessitating effective crop enhancement technologies that provide excellent crop quality and quantity. Chemicals such as pesticides and fertilizers are commonly used to address biotic stressors in crop production, but these have serious consequences for crop quality and health. Nanotechnology is a novel and scientific method employed in designing, manipulating, and developing beneficial nanoparticles. Materials of nanometer-scale sizes that range from 1 nm to 100 nm are produced using nanotechnology. Due to their small sizes, they have a higher surface area-to-volume ratio (as compared to bulk forms), thereby conferring unique and desirable physical traits. The nanotechnology application in agriculture is outstandingly advancing in order to improve food quality, minimize agricultural inputs, boost nutritional content, and extend shelf life. Crop improvement, crop growth, crop protection, soil enhancement, stress tolerance, and precision farming all benefit from nanotechnology. Nanomaterials provide a platform for delivering agrochemicals and other macromolecules required for plant growth improvement and stress tolerance. Smart agrochemical delivery boosts production by regulating nutrients and water requirements. Both the quality and quantity of agriculture can be improved by using nanoparticles to transform genes and supply macromolecules that encourage expression of genes. The motive of the chapter is to highlight importance of different nanoparticles in abiotic stress, detection of pathogen, seed germination, crop growth, quality enrichment, and supplementation of macronutrients and micronutrients. © 2024 Walter de Gruyter GmbH, Berlin/Boston. All rights reserved.
Nanoparticles-based abiotic stresses management in the climate era for sustainable crop production
(De Gruyter, 2024) Shreni Agrawal; Pradeep Kumar; Richa Das; Shivangee Solanki; Vishnu D. Rajput; Amit Kumar Singh; Tatiana M. Minkina; Indrani Bhattacharya; Sunil Kumar Mishra; Kavindra Nath Tiwari
Rapid population expansion and environmental difficulties in agriculture necessitate the development of new and efficient ways to address the expanding global demand for food. Modern nanotechnology developments have received widespread application in agricultural safety and post-harvest processing. Nanostructures are necessary for plant control, seedling growth, and genetic modification. Its size, surface morphology, composition, and features were created to allow sustained delivery and specific strength in agriculture and the food business. Nanotechnology has the ability to be used for the precise and regulated administration of nutrients, insecticides, regulators, and so on. It also contributes to the elimination of chemical-based agrochemicals and their water solubility, the protection of agrochemical breakdown, maintaining soil health, and the natural control of crop pathogens. Nanoparticles can be exploited efficiently for nanoencapsulation, seed germination, genetic manipulation, and so on in order to preserve crops and increase crop productivity, food quality, and climate monitoring. Nanotechnology played a key role in the assimilation and transportation operations, biologically transforming the plants, promoting high-seed germination, and enhancing agricultural yield. In this chapter, we will highlight some of the most essential nanomaterial technologies for efficient agro-food systems. The necessity and function of nanotechnology in addressing the issues and difficulties facing agriculture and the food sector are thoroughly discussed, along with the limitations and future prospects of nanoparticles. © 2024 Walter de Gruyter GmbH, Berlin/Boston. All rights reserved.
Network pharmacology of apigeniflavan: a novel bioactive compound of Trema orientalis Linn. in the treatment of pancreatic cancer through bioinformatics approaches
(Springer Science and Business Media Deutschland GmbH, 2023) Richa Das; Shreni Agrawal; Pradeep Kumar; Amit Kumar Singh; Praveen Kumar Shukla; Indrani Bhattacharya; Kavindra Nath Tiwari; Sunil Kumar Mishra; Amit Kumar Tripathi
Pancreatic cancer is the seventh most prevalent cause of mortality globally. Since time immemorial, plant-derived products have been in use as therapeutic agents due to the existence of biologically active molecules called secondary metabolites. Flavonoids obtained from plants participate in cell cycle arrest, induce autophagy and apoptosis, and decrease oxidative stress in pancreatic cancer. The present study involves network pharmacology-based study of the methanolic leaf extract of Trema orientalis (MLETO) Linn. From the high-resolution mass spectrometry (HRMS) analysis, 21 nucleated flavonoids were screened out, of which only apigeniflavan was selected for further studies because it followed Lipinski’s rule and showed no toxicity. The pharmacokinetics and physiochemical characteristics of apigeniflavan were performed using the online web servers pkCSM, Swiss ADME, and ProTox-II. This is the first in silico study to report the efficiency of apigeniflavan in pancreatic cancer treatment. The targets of apigeniflavan were fetched from SwissTargetPrediction database. The targets of pancreatic cancer were retrieved from DisGeNET and GeneCards. The protein–protein interaction of the common genes using Cytoscape yielded the top five hub genes: KDR, VEGFA, AKT1, SRC, and ESR1. Upon molecular docking, the lowest binding energies corresponded to best docking score which indicated the highest protein–ligand affinity. Kyoto Encyclopaedia of Genes and Genomes (KEGG) database was employed to see the involvement of hub genes in pathways related to pancreatic cancer. The following, pancreatic cancer pathway, MAPK, VEGF, PI3K–Akt, and ErbB signaling pathways, were found to be significant. Our results indicate the involvement of the hub genes in tumor growth, invasion and proliferation in the above-mentioned pathways, and therefore necessitating their downregulation. Moreover, apigeniflavan can flourish as a promising drug for the treatment of pancreatic cancer in future. © 2023, King Abdulaziz City for Science and Technology.
Network pharmacology-based anti-pancreatic cancer potential of kaempferol and catechin of Trema orientalis L. through computational approach
(Springer, 2023) Shreni Agrawal; Richa Das; Amit Kumar Singh; Pradeep Kumar; Praveen Kumar Shukla; Indrani Bhattacharya; Amit Kumar Tripathi; Sunil Kumar Mishra; Kavindra Nath Tiwari
In pancreatic cancer, healthy cells in the pancreas begin to malfunction and proliferate out of control. According to our conventional knowledge, many plants contain several novel bioactive compounds, having pharmaceutical applications for the treatment of disease like pancreatic cancer. The methanolic fraction of fruit extract of Trema orientalis L. (MFETO) was analysed through HRMS. In this in silico study, pharmacokinetic and physicochemical properties of the identified flavonoids from MFETO were screened out by ADMET analysis. Kaempferol and catechin followed Lipinski rules and showed no toxicity in Protox II. Targets of these compounds were taken from SwissTarget prediction and TCMSP whilst targets for pancreatic cancer were taken from GeneCards and DisGeNET databases. The protein–protein interaction (PPI) network of common genes was generated through STRING and then exported to the Cytoscape to get top 5 hub genes (AKT1, SRC, EGFR, TNF, and CASP3). The interaction between compounds and hub genes was analysed using molecular docking, and high binding affinity between them can be visualised by Biovia discovery studio visualizer. Our study shows that, five hub genes related to pancreatic cancer play an important role in tumour growth induction, invasion and migration. Kaempferol effectively check cell migration by inhibiting ERK1/2, EGFR-related SRC, and AKT pathways by scavenging ROS whilst catechin inhibited TNFα-induced activation and cell cycle arrest at G1 and G2/M phases by induction of apoptosis of malignant cells. Kaempferol and catechin containing MFETO can be used for formulation of potent drugs for pancreatic cancer treatment in future. © 2023, The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.