Arnab Sen’s research while affiliated with North Bengal University and other places

Cleome genus is commonly known as spider flower plant or cats whiskers, and is the largest genus of the family Cleomaceae, with around 200 species containing a range of remedial applications. Several species of Cleome genus show anti-cancer properties, however, nothing has been reported with genus spinosa, an anti-inflammatory and immunomodulatory plant. Thus, the present study examined the likely anti-cancer property of ethanolic leaf extract of Cleome spinosa (CSE) in Ehrlich ascites carcinoma (EAC) cells in vitro and in vivo. CSE treatment in vitro significantly caused higher percentage of death in EAC in a dose dependent manner compared to control groups (untreated and ethanol treated). Bright field, fluorescence and electron microscopies revealed apoptotic changes such as surface blebbings, nuclear fragmentation, chromatin condensation and apoptotic body formation, which probably could be the cause of death in EAC cells with CSE treatment. Apoptosis of CSE-treated EAC cells appeared to be mediated through upregulation of pro-apoptotic protein p53 and downregulation of anti-apoptotic protein, Bcl-xL expression, as ascertained through western blot both in vitro and in vivo. CSE was protective toward murine splenocytes by scavenging free radicals; it also reduced the ascitic tumor burden and increased the survival of the tumor-bearing mice compared to the control. Gas Chromatography-Mass Spectrometry (GCMS) analysis identified 43 phytocompounds in CSE. In silico molecular docking analysis indicated that a number of bioactive compounds, such as cycloartenol, stigmasterol, clionasterol, beta-sitosterol, lupenone, and sitostenone that were abundant in the CSE extract, exhibited strong binding affinities for the key apoptosis- regulating proteins, p53 and Bcl-xL. Thus, CSE derived-compounds appear to act as natural antioxidants, and have anti-cancer properties via induction of apoptosis in EAC possibly through upregulation of p53 and downregulation of Bcl-xL proteins in murine model. Hence, CSE could be considered as a promising natural compound for future cancer therapies.

Anisothecium spirale (Mitt.) Broth., an epiphytic moss of Family- Dicranaceae, is profoundly distributed in the Darjeeling hill region. The volatile metabolites from the headspace of the gametophytic plant parts were extracted by solid phase micro-extraction (SPME) followed by their analysis using gas chromatography-mass spectrometry (GC–MS). The volatile profile constituted twenty-six compounds, belonging to monoterpenes, sesquiterpenes, and fatty acid-derived oxylipins. The predominant metabolite was a monoterpene, α-pinene, which contributed 43.3% of the total identified volatiles. Most of the other detected compounds were sesquiterpenes, belonging to different chemical groups such as bourbonanes, elemanes, eudesmanes, and cadinanes. Among the oxylipins, C6 and C8 alcohols, and a C8 keto compound were isolated. The total terpene extract from the moss gametophyte exhibited in-vitro antioxidant activity. The compounds were analyzed for pharmacokinetic properties using the SwissADME tool followed by a virtual screening via docking approach to predict the binding affinity of the metabolites towards Cannabinoid Receptor 1 (CB1) and the cellular transcription factors involved in anti-inflammatory and antioxidant responses, namely KEAP1, NF-kB, FOXO3a. Some of the detected terpenes, namely α-gurjunene, β-bourbonene, γ-muurolene displayed substantial binding affinity towards the transcription factors, reflecting their possible involvement in antioxidant and anti-inflammatory response mechanism. Moreover, α-pinene, α-gurjunene, β-pinene and β-vatirenene were found to target CB1 depicting their potent neuro-modulatory effect. Therefore, the in-vitro and in-silico analyses suggested the occurrence of several bio-active phytochemicals in Anisothecium spirale predicting it’s potential therapeutic prospects, which needs to be validated by further pharmacological evaluations.

Objective To explore and understand the antidiabetic activity of Tupistra clarkei Hook.f. inflorescence, providing a scientific explanation to the ethnomedicinal properties. Methods The constituents of the plant were determined through GC-MS analysis, which were used for target prediction and network pharmacology to understand how the plant regulates hyperglycaemia and other diabetes complications. These properties were validated in vivo along with further assessment of the antioxidant potential of the plant, both in vitro and in vivo. Key findings The plant showed good phenol-flavonoid content, and antioxidant potential both in vitro and in vivo. GC-MS analysis identified 24 constituents of the plant. In silico analysis showed their ability to target 166 proteins that are associated with pathways in controlling hyperglycaemia and other diabetic consequences, protection of pancreatic tissue, insulin secretion, and insulin resistance. This was reflected in the in vivo experiment where T. clarkei showed ability to reduce FBG, LDL-C, VLDL-C levels, improve the levels of HDL-C, and also facilitate reversal of damage in pancreatic islets. Conclusion Our study validated the antidiabetic potential Tupistra clarkei inflorescence in the in silico and in vivo assessment, and has proved to have good antioxidant activity and potential against diabetes. However, further clinical trials are essential.

Heavy metals and metalloids (HMMs) pollution is an escalating global concern, driven by rapid industrialization, urbanization, and agricultural intensification. Contaminated soil not only compromise crop productivity but also introduce toxic elements into the food chain, posing serious risks to human health and ecological integrity. This study investigates the extent of HMMs-contamination (As, Cd, Pb, Ni, Cu, and Zn) in agricultural soils across the Gangetic plain and surrounding industrial regions of West Bengal, India, a microcosm of global challenges in soil pollution. Using Inductively Coupled Plasma – Atomic Emission Spectroscopy, we have analyzed a total 50 soil samples from Malda, Paschim Bardhaman, and Murshidabad districts. Results indicate significant contamination with arsenic (8.89–21.85 and 3.74–33.28 mg kg⁻¹) and nickel, dominating the Gangetic plain soils due to overuse of contaminated groundwater and agrochemicals. While, industrial areas exhibited alarming levels of cadmium (0.89–3.39 mg kg⁻¹), nickel (31.87–92.06 mg kg⁻¹), and zinc. A pot experiment with soybean (Glycine max) seedlings revealed that HMMs-toxicity impaired growth, elevated reactive oxygen species, and caused DNA-damage. Human health risk assessments identified arsenic and cadmium as primary carcinogens (target carcinogenic risk > 1.0 × 10⁻⁴) for adults and children under prolonged exposure. These findings underscore the urgency of global regulatory measures and innovative remediation strategies to mitigate soil pollution, safeguard food security, protect public health and prevent further environmental degradation. This also study highlights the Gangetic plain as a critical area reflecting broader environmental challenges, offering insights applicable to regions facing similar industrial and agricultural pressures worldwide.

Phytochemicals are of paramount importance in combating various diseases such as cancer, diabetes, and coronary diseases. These bioactive compounds of plant origin are gaining importance in cancer therapy due to the inevitable negative effects of modern medicine. Ficus rumphii is an under-explored species of the family Moraceae which has been identified as a potential therapeutic for various ailments in traditional medicine. The study identifies the phytocompounds from the methanol extract of these plant leaves (Fr-ME) by GC–MS and its antioxidant, antimicrobial, antiproliferative and cytotoxicity potential were studied in vitro. Additionally, a network pharmacology approach was adopted for the target prediction of the phytochemicals for the suppression of renal cancer. These targets were studied in silico by molecular docking and dynamics. Since the inactivation of P53 through MDM2-P53 interaction is one of the major causes of apoptosis inhibition and associated renal carcinoma, the suppression of MDM2 activity through F. rumphii-derived Lanosterol and β-amyron can prevent the carcinogenic progression by the induction of cell cycle arrest and apoptotic pathway. This study is the first-ever report for the comprehensive analysis of the therapeutic properties of F. rumphii, especially for its anticancer potential and is established by in vitro and in silico studies.

Tetranychus urticae (two-spotted spider mite) is a pest infesting multiple crops of agricultural importance. An effective remedy for the prevention and control of this pest is lacking. This study focuses on the preparation and identification of the phytocompounds from the indigenous bioformulation by GC-MS analysis. Further, the identified compounds were targeted against the proteins present in the reproductive cycle of the pest by molecular docking. Molecular docking analysis revealed an effective binding score against the vital proteins which will be effective in arresting the multiplication of the two-spotted spider mites. Since the phytocompound affect the reproductive proteins, its further multiplication and spread in the field can be averted. The current in silico study depicts the interaction of the mite protein and the phytocompound which also effective against other pests. This is a first ever report for the characterization of the bioformulation against pests from this region.

The luscious fruit‐bearing plant Elaeagnus pyriformis (Hook. f.), sometimes called oleaster or silverberry, is found in northeastern India. Natives from this region consume fruit because it is believed to be nutritious and to offer protection against various diseases. This study aimed to prepare wine from Elaeagnus fruits and assess its nutritional content and antioxidant and anticancer properties in cancer cell lines. GC‒MS (gas chromatography/mass spectrometry) was utilized to determine the active phytocompounds in the wine, which were then docked against cancer‐related proteins. Simultaneously, 16S rRNA metagenomic analysis was conducted to identify the diverse bacterial species present in the wine samples. The results revealed significant amounts of free fatty acids, free amino acids, total sugars, total protein, macroelements, and microelements in Elaeagnus wine (oleaster wine). Oleaster wine exhibited high antioxidant activity, indicating its significant medicinal importance. Eleven putative phytocompounds were identified through GC‒MS analysis and a molecular docking study of these compounds revealed favorable interactions with the studied cancer‐related proteins. A cell line study revealed that the wine possessed noteworthy anticancer activity, supporting its potential medicinal and biological benefits, as demonstrated by the in silico results. Furthermore, metagenomic analysis of the 16S rRNA V3–V4 region revealed that the wine sample and microbial population contained diverse bacterial species, which play a vital role in the anticancer properties. Considering all the in vitro, in silico, and metagenomic data, it can be concluded that the wine offers therapeutic and health benefits.

Endemic fermented vegetables play a crucial role in local cuisine and culture, with traditionally fermented raw green vegetables such as gundruk being a popular practice in North Bengal and Sikkim, India. However, there is a gap in the microbial profiling of these vegetables. This study aimed to explore the diversity of dominant bacterial populations in fermented leafy vegetables using both culture-dependent and culture-independent methods. In addition to isolating bacteria using conventional methods, we conducted phenotypic and biochemical characterization, community DNA isolation, and amplicon sequencing. We also introduced a new approach in bioinformatics analysis: reverse ecology, which analyzes complementation and competition among participant microbes. In conventional culture-dependent techniques, LAB genera such as Lactobacillus, Enterococcus, Leuconostoc, and Pediococcus have been identified as predominant consortia, whereas metagenomic analysis revealed that the microbiome of fermented dried leafy vegetables was mainly composed of Firmicutes, Proteobacteria, Actinobacteria, Bacteroides, and Planctomycetes at the phylum level. Within the Lactobacillaceae family, predominant types included Lactobacillus, Lactococcus, Pediococcus, Leuconostoc, Enterococcus, Vagococcus, Weissella, and Carnobacterium. The microbial metabolism revealed key pathways, such as carbon metabolism, glycolysis, gluconeogenesis, and glyoxylate. Aromatic amino acid degradation, fatty acid metabolism, amino sugar metabolism, nucleotide sugar metabolism, and biosynthesis of nucleotide sugar pathways were also active. The competition index among microbes and human metabolic data was low (0.32–0.44), indicating minimal competition for nutrition. Complementation indices between bacteria and humans were high (0.76–0.88), suggesting a beneficial impact of gundruk microbial populations on human health.

The Nipah virus (NiV), a zoonotic virus in the Henipavirus genus of the Paramyxoviridae family, emerged in Malaysia in 1998 and later spread globally. Diseased patients may have a 40- 70% chance of fatality depending on the severity and early medication. The recent outbreak of NiV was reported in Kerala (India) by a new strain of MCL-19-H-1134 isolate. Currently, no vaccines are available, highlighting the critical need for a conclusive remedy. Our study aims to develop a subunit vaccine against the NiV by analyzing its proteome. NiV genome and proteome sequences were obtained from the NCBI database. A phylogenetic tree was constructed based on genome alignment. T-cell, helper T-cell, and B-cell epitopes were predicted from the protein sequences using NetCTL-1.2, NetMHCIIPan-4.1, and IEDB servers, respectively. High-affinity epitopes for human receptors were selected to construct a multi-epitope vaccine (MEV). These epitopes’ antigenicity, toxicity, and allergenicity were evaluated using VaxiJen, AllergenFP-v.1.0, and AllergenFP algorithms. Molecular interactions with specific receptors were analyzed using PyRx and ClusPro. Amino acid interactions were visualized and analyzed using PyMOL and LigPlot. Immuno-simulation was conducted using C-ImmSim to assess the immune response elicited by the MEV. Finally, the vaccine cDNA was inserted into the pET28a(+) expression vector using SnapGene tool for in silico cloning in an E. coli host. The potential for an imminent outbreak cannot be overlooked. A subunit vaccine is more cost-effective and time-efficient. With additional in vitro and in vivo validation, this vaccine could become a superior preventive measure against NiV disease.

Alzheimer's disease (AD) and Parkinson’s disease (PD) are two shocking neurodegenerative disorders in the human population. The number of patients is increasing alarmingly worldwide, resulting in social and economic loss. Though several medications and treatment strategies have been developed, most of them failed to completely cure these cognitive diseases. Another major issue is that those compounds that were successful against these diseases exhibit serious side effects that hamper the treatment strategies. In this scenario, phytochemicals are evolving as a better alternative and are gaining popularity among the medical fraternity. The present study involves the exploration of the anti-neurodegenerative potential of seeds-derived phytocompounds of Annona squamosa against these diseases. We have deployed molecular docking and simulation strategies for the in silico validation of the therapeutic properties of the phytochemicals found in A. squamosa seed using beta-secretase (1W50), gamma-secretase (5A63), beta-amyloid fibril (2MXU) and alpha-synuclein (3Q25) as our target proteins. Four A. squamosa L. derived compounds: 1–2-Benzenedicarboxylicacid-butyl-cyclohexyl ester, 9-Octadecenoicacid-2–3-dihydroxypropylester, Anonaine, and Hexadecanoicacid-2-hydroxy-1-hydroxymethyl-ethyl ester were found to be effective in the treatment of AD and PD. The druggability score was further evaluated using ADME analysis and these compounds were found to follow Lipinski’s rule, PAINS, and Veber's rules indicating that they have a good probability to be new drug molecules. This is probably one of the pioneering works on the in silico studies for the anti-neurogenerative properties of A. squamosa seeds, which proves their potency in the treatment strategies of both AD and PD. However, this dry-lab-based bioinformatics analysis is open for clinical trials.