In silico approach to screen anti-inflammatory phytochemicals: targeting cytosolic phospholipase A2 and phospholipase C Kunal Kumar, Arun Kumar Malaisamy, Rajat Sharma, Kunal Ranjan, Raghunath Satpathy, Rajani Sharma Journal of Biomolecular Structure and Dynamics, 2026 Phospholipase A2 (PLA2) have various inflammatory responses by catalysing the release of arachidonic acid and lysophospholipids from membrane phospholipids. Amongst PLA2 variants, cytosolic PLA2 (cPLA2) is central to inflammation, while phospholipase C (PLC) is involved in macrophage-mediated inflammation, significant in various infectious diseases and cancer. Nonsteroidal anti-inflammatory drugs (NSAIDs) are commonly used to prevent inflammation by inhibiting COX 1 and COX 2 enzymes but have several side effects. They affect the gastric mucosa wall, causing stomach and duodenal ulcers. This necessitates desirable alternative enzymes inhibitor with less side effects. In the present study, 57 phytochemicals possessing PLA2 inhibiting properties were screened and compared with chemically synthesised Varespladib. Based on pharmacological activity as analysed from Way2Drugs server, p-Coumaric acid suited best phytochemical against PLA2 and PLC. Molecular docking using HADDOCK server for p-Coumaric acid and reference compound Varespladib exhibited binding score of -51.3 ± 1.4 and -32.3 ± 1.5 with PLA2 respectively whereas displayed binding score of -55.6 ± 3.2 and -31.4 ± 1.3 respectively with PLC. Further, the fact was validated by a comparative 250 ns molecular dynamics (MD) simulation using the Desmond package and MM-GBSA experiments were carried out to analyse the thermodynamic nature of receptor-ligand complex. The MD simulation showed that the phytochemical p-Coumaric acid exhibited strong interactions with cPLA2 and interacted moderately with PLC during the simulation. However, the reference molecule Varespladib was observed to be interacted strongly with cPLA2 and feebly with the PLC. This is the first report on the strong efficacy of p-Coumaric acid against cPLA2.
Artificial Intelligence in Biotechnology Artificial Intelligence and Biological Sciences, 2025
Regeneration of Endangered Medicinal Plants Kunal Ranjan, Supriyo Basak, Rajani Sharma, Kunal Kumar Regeneration Potential in Plants, 2025 Regeneration of endangered medicinal plants in India and globally is an important effort to preserve biodiversity and ensure sustainable use of natural resources. Medicinal endangered plants are valuable sources of genetic resources due to their unique chemical and biological compounds. These compounds can have biomedical applications, including the development of new drugs and therapies. Preserving genetic resources of medicinal endangered plants is important to ensure the availability of these resources for the future. Plethora of approaches are being used like in situ and ex situ conservation strategies and biotechnological intervention tools including use of molecular markers and synthetic seed technology for the regeneration of endangered and medicinal plants. All these strategies can be effective and the choice of which method to use will depend on the specific circumstances and goals of the conservation effort (Chen et al. 2016).
Preface Antimicrobial Resistance in Humans Animals and the Environment One Health Approach, 2025
Techniques for Gallstone Analysis: From Traditional Methods to Present Day Cutting-Edge Technologies- A Panoramic Review Nisha Kumari, Debanik Deb, Bhavna Sharma, Rajani Sharma, Shubha Rani Sharma Critical Reviews in Analytical Chemistry, 2025 Gallstones are crystalline bodies with a heterogeneous composition in relation to the type, mainly categorized as cholesterol, pigment, or mixed stones. Their physicochemical properties need to be identified to make appropriate diagnoses, establish effective treatments, and implement sound prevention measures. This review has gathered a comprehensive set of techniques applied to characterizing gallstones. Spectroscopic techniques including Fourier-transform infrared (FTIR), Raman, and Ultraviolet-visible spectroscopy (UV-Vis) spectroscopy provide crucial functional groups and molecular structures and identify organic constituents such as cholesterol, bilirubin, and calcium bilirubinate etc. Time-of-Flight Secondary Ion Mass Spectrometry (TOF-SIMS) and Laser-Induced Breakdown Spectroscopy (LIBS) deliver surface-sensitive elemental information, in the case of TOF-SIMS especially, to trace metals such as Fe, Cu, Zn, as well as contaminants like Pb and Cd. The thermal techniques like Thermogravimetric Analysis (TGA) and Differential Scanning Calorimetry (DSC) extract differences in cholesterol content and heat stability between the different categories of stone. Complementary methods like X-ray diffraction (XRD) and scanning electron microscopy (SEM) dissect mineral phases and surface topography. Differential elemental quantitation with inductively coupled plasma optical emission spectroscopy (ICP-OES) and Inductively Coupled Plasma Mass Spectrometry (ICP-MS) determines Ca, Mg, and Fe to be major contributors to the development of gallstones. This review highlights the diagnostic value of elemental signatures, crystalline morphology, and thermophysical transitions in determining gallstone ethology and composition and help us in dealing with pathogenesis, with multi technique combination providing the most comprehensive description. Finally, the integration of analytical methods provides a solid basis for clinical and research gallstone analysis.
AI-based detection of phytochemicals regulating cholesterol level K Kumar, AK Malaisamy, K Ranjan, S Kumari, R Sharma AIP Conference Proceedings 3398 (1), 020005 , 2026 2026
In silico approach to screen anti-inflammatory phytochemicals: targeting cytosolic phospholipase A 2 and phospholipase C K Kumar, AK Malaisamy, R Sharma, K Ranjan, R Satpathy, R Sharma Journal of Biomolecular Structure and Dynamics 44 (1), 258-267 , 2026 2026 Citations: 3
Transmission of antimicrobial resistance between humans, animals, and the environment DK Pandey, R Sharma, K Kumar, K Ranjan Antimicrobial Resistance in Humans, Animals, and the Environment, 247-264 , 2026 2026 Citations: 1
Techniques for Gallstone Analysis: From Traditional Methods to Present Day Cutting-Edge Technologies-A Panoramic Review N Kumari, D Deb, B Sharma, R Sharma, SR Sharma Critical Reviews in Analytical Chemistry, 1-16 , 2025 2025
Artificial Intelligence in Biotechnology K Kumar, R Sharma, K Ranjan, DK Pandey Artificial Intelligence and Biological Sciences, 192-218 , 2025 2025 Citations: 10
Regeneration of Endangered Medicinal Plants K Ranjan, S Basak, R Sharma, K Kumar Regeneration Potential in Plants, 114-127 , 2025 2025
Case study of gallbladder diseases and microbiome C Patade, B Sharma, S Kumari, R Sharma, SR Sharma Human and Animal Microbiome Engineering, 241-250 , 2025 2025
A perspective on varied fungal virulence factors causing infection in host plants P Kumar, R Sharma, K Kumar Molecular Biology Reports 51 (1), 392 , 2024 2024 Citations: 27
Computational biology in drug discovery and repurposing R Sharma, AVS Kumar, K Kumar CRC Press , 2024 2024 Citations: 3
Gallstone Formation, Diagnosis, Treatment and Prevention R Sharma, R Prasad Elsevier , 2024 2024 Citations: 1
Historical perspective of gallstones B Sharma, R Sharma, R Prasad, SR Sharma Gallstone Formation, Diagnosis, Treatment and Prevention, 1-7 , 2024 2024
Dysbiosis and its Varied Impacts R Sharma, K Kumar The Gut Microbiota in Health and Disease, 41-54 , 2023 2023 Citations: 5
Dealkenylation of neoandrographolide, a phytochemical from Andrographis paniculata stimulates FXR (Farnesoid X Receptor) and enhances gallstone dissolution R Sharma, K Kumar, K Tanvi Journal of Biomolecular Structure and Dynamics 41 (8), 3339-3348 , 2023 2023 Citations: 3
Impact of oxalate on the physicochemical properties of potato starch: An insight closely associated with Indian cuisine K Kumar, R Sharma, A Kumar, S Singh International Journal of Gastronomy and Food Science 31, 100660 , 2023 2023 Citations: 4
Orchestration of the Plant Microbiome for Enhanced Agriculture SR Sharma, R Sharma Sustainable Agriculture Reviews 60: Microbial Processes in Agriculture, 23-46 , 2023 2023
Role of Probiotics in Treatment of Gut‐Related Diseases K Kumar, R Sharma Prebiotics and Probiotics in Disease Regulation and Management, 1-26 , 2022 2022 Citations: 2
Novel Microbial Compounds as a Boon in Health Management SR Sharma, R Sharma, D Kar Biotechnological Advances for Microbiology, Molecular Biology, and … , 2022 2022 Citations: 3
N-glycosylation, a leading role in viral infection and immunity development. VK Pandey, R Sharma, GK Prajapati, TK Mohanta, AK Mishra Mol Biol Rep , 2022 2022 Citations: 70
A comprehensive review on nanopesticides and nanofertilizers—A boon for agriculture B Sharma, U Lakra, R Sharma, SR Sharma Nano-enabled Agrochemicals in Agriculture 1, 1-18 , 2022 2022 Citations: 38
Microbial Aspect in Wastewater Management: Biofilm. R Sharma, SR Sharma Advanced Industrial Wastewater Treatment and Reclamation of Water., 71-86 , 2021 2021 Citations: 2
MOST CITED SCHOLAR PUBLICATIONS
N-glycosylation, a leading role in viral infection and immunity development. VK Pandey, R Sharma, GK Prajapati, TK Mohanta, AK Mishra Mol Biol Rep , 2022 2022 Citations: 70
A comprehensive review on nanopesticides and nanofertilizers—A boon for agriculture B Sharma, U Lakra, R Sharma, SR Sharma Nano-enabled Agrochemicals in Agriculture 1, 1-18 , 2022 2022 Citations: 38
Analysis of gallstone composition and structure in Jharkhand region R Sharma, S Soy, C Kumar, SG Sachan, SR Sharma Indian Journal of Gastroenterology 34 (1), 29-37 , 2015 2015 Citations: 36
A perspective on varied fungal virulence factors causing infection in host plants P Kumar, R Sharma, K Kumar Molecular Biology Reports 51 (1), 392 , 2024 2024 Citations: 27
In vitro analysis of gallstone formation in the presence of bacteria R Sharma, SG Sachan, SR Sharma Indian journal of Gastroenterology 39 (5), 473-480 , 2020 2020 Citations: 23
Preponderance of gallstones in females R Sharma, SG Sachan, SR Sharma World Journal of Pharmacy and Pharmaceutical Sciences 2 (6), 5871-77 , 2013 2013 Citations: 18
Artificial Intelligence in Biotechnology K Kumar, R Sharma, K Ranjan, DK Pandey Artificial Intelligence and Biological Sciences, 192-218 , 2025 2025 Citations: 10
Pentagalloylglucose, a phytochemical from Terminalia chebula can efficiently prevent SARS-CoV-2 entry: In Silico study R Sharma, GK Prajapati, G Akhoury Israel Journal of Plant Sciences 68 (1), 124-132 , 2021 2021 Citations: 7
2019-nCoV: a worldwide concern and facts R Sharma, G Akhoury Virusdisease 31 (4), 424-431 , 2020 2020 Citations: 7
Probing into the prevalence and factors of gallstones formation in Jharkhand Region in India. R Sharma, A Kumar, NK Jha, SG Sacchan, A Sharan, SRS Vidyarthi 2012 Citations: 6
Dysbiosis and its Varied Impacts R Sharma, K Kumar The Gut Microbiota in Health and Disease, 41-54 , 2023 2023 Citations: 5
Impact of oxalate on the physicochemical properties of potato starch: An insight closely associated with Indian cuisine K Kumar, R Sharma, A Kumar, S Singh International Journal of Gastronomy and Food Science 31, 100660 , 2023 2023 Citations: 4
Urease positive and slime producing bacterial activity: results in gallstone precipitation and solidification R Sharma, SG Sachan, SR Sharma Arch. Clin. Infect. Dis 8 (4) , 2013 2013 Citations: 4
In silico approach to screen anti-inflammatory phytochemicals: targeting cytosolic phospholipase A 2 and phospholipase C K Kumar, AK Malaisamy, R Sharma, K Ranjan, R Satpathy, R Sharma Journal of Biomolecular Structure and Dynamics 44 (1), 258-267 , 2026 2026 Citations: 3
Computational biology in drug discovery and repurposing R Sharma, AVS Kumar, K Kumar CRC Press , 2024 2024 Citations: 3
Dealkenylation of neoandrographolide, a phytochemical from Andrographis paniculata stimulates FXR (Farnesoid X Receptor) and enhances gallstone dissolution R Sharma, K Kumar, K Tanvi Journal of Biomolecular Structure and Dynamics 41 (8), 3339-3348 , 2023 2023 Citations: 3
Novel Microbial Compounds as a Boon in Health Management SR Sharma, R Sharma, D Kar Biotechnological Advances for Microbiology, Molecular Biology, and … , 2022 2022 Citations: 3
Role of Probiotics in Treatment of Gut‐Related Diseases K Kumar, R Sharma Prebiotics and Probiotics in Disease Regulation and Management, 1-26 , 2022 2022 Citations: 2
Microbial Aspect in Wastewater Management: Biofilm. R Sharma, SR Sharma Advanced Industrial Wastewater Treatment and Reclamation of Water., 71-86 , 2021 2021 Citations: 2
Consumption of heme iron: A major factor in pigment gallstone formation R Sharma, K Ujwal, JN Kishore, SG Sachan, SR Sharma International Journal of Biomedical Research 5 (1), 34-37 , 2014 2014 Citations: 2
