Inspired by molecular dynamic simulation, exploring chemical constituents of alcoholic extract of Garuga pinnata computationally as inhibitors of GluN2B-containing NMDA receptors Jagannath Shinge, Amol Muthal, Vinayak Walhekar, Chandrakant Bagul, Dileep Kumar, Chandrashekar V. M., Baswaraj Macha, Vaibhav Shinde, Mahesh Palled, Ravindra Kulkarni Journal of Biomolecular Structure and Dynamics, 2026 Garuga pinnata a tree spotted in the Asian continent constitutes of constellation of phytochemicals in the whole tree from which the alcoholic extract of the leaf is the abundant source. The phytochemicals namely Amentoflavone, Garuganin-1, Garuganin-3, Garuganin-4, and Garuganin-5 were considered for the study as they have the anti-Alzheimer's potential but the biological target has not been reported. So, to identify the target the phytochemicals were scrutinized by employing in silico methodologies namely molecular docking, molecular dynamics simulation, and ADMET prediction. Molecular docking revealed that Amentoflavone occupied the active site of the NMDA, and established interactions with Gln110, Glu236, Ile133, and Asp136 with an excellent docking score of -8.535 kcal/mol. Amentoflavone with the best docking score was selected for molecular dynamics which revealed that Amentoflavone maintained stability in the active site of the NMDA receptor with three hydrogen bond interactions in 100 ns time scale of the trajectory. Amentoflavone demonstrated an encouraging ADMET profile as compared to other phytochemicals. In the nut shell Amentoflavone displayed excellent in silico results and further may demonstrate an excellent in vitro NMDA inhibitory potential.
Optimization and validation of reverse phase HPLC and HPTLC method for simultaneous quantification of vasicine and vasicinone in Sida species Journal of Medicinal Plants Research, 2010
DNA fingerprinting of Tinospora cordifolia using RAPD analysis Journal of Global Pharma Technology, 2010
Application of ISSR marker in pharmacognosy: Current update Pharmacognosy Reviews, 2009
Natural compounds as anti-arthritic Agents-a review Pharmacognosy Reviews, 2009
Multi-target anti-hangover mechanisms of andrographolide and its analogs: a hypothesis-generating in silico, in vitro feasibility study Y Jadhav, S Mukadam, O Bhingoli, S Unavane, S Kamble, P Naidu, ... In Silico Pharmacology 14 (2), 116 , 2026 2026
BIOLOGICAL EVALUATION OF HOMOEOPATHIC GLYCYRRHIZA GLABRA IN CUTANEOUS WOUND HEALING CS Daditi Joshi, Vaibhav Shinde International Journal of Pharmacognosy 13 (4), 230-240 , 2026 2026
From in silico and machine learning model to validation: discovery of novel amide-functionalized imidazopyridines as PIM-1 kinase inhibitors using an integrated ligand and … RK Vinayak Walhekar, Shubham Dhadil, Ankit Ganeshpurkar, Srilakshmi ... RSC Advances 16, 20224–20240 , 2026 2026
Enhanced wound healing in diabetic rats using Boswellia serrata Roxb.- Zn gel: a multifunctional approach targeting inflammation, oxidative stress, and tissue … S Mukadam, VM Shinde, KR Mahadik Inflammopharmacology, 1-15 , 2026 2026
Inspired by pharmacophore, the development of new Phenylbenzimidazole derivatives: synthesis, characterization and anti-inflammatory activity H Chonde, S Singagari, AB Khadernaick, C Mangannavar, A Muthal, ... Biochemical and Biophysical Research Communications, 153649 , 2026 2026
BIOGLASS AND HERBAL THERAPEUTICS: A REVOLUTIONARY APPROACH TO ENHANCING ORAL HEALTH MANAGEMENT VS Riya Dsilva, Arti Gachake International Journal of Pharmacognosy 13 (3), 152-165 , 2026 2026
ALOPECIA AREATA: CURRENT INSIGHTS INTO IMMUNOPATHOGENESIS, DIAGNOSIS, AND EVOLVING THERAPEUTIC STRATEGIES VMS Tushar Tapadiya, Deepa S. Mandlik, Ravindra Kulkarni International Journal of Pharmacognosy 13 (3), 132-151 , 2026 2026
Inspired by molecular dynamic simulation, exploring chemical constituents of alcoholic extract of Garuga pinnata computationally as inhibitors of GluN2B … J Shinge, A Muthal, V Walhekar, C Bagul, D Kumar, C VM, B Macha, ... Journal of Biomolecular Structure and Dynamics 44 (3), 1333-1347 , 2026 2026 Citations: 1
In vitro, in vivo and in silico investigations of inhibitory effect of the aqueous extract of Nelumbo nucifera G. flower on ethylene glycolinduced urolithiasis in rats R Dalvi, S Mukadam, A Muthal, D Mandlik, R Kulkarni, A Mali, V Shinde in Silico Pharmacology 14, 1-13 , 2026 2026
Development of 3D-printed taste-masked extended-release tablet ofBacopa monnieri with HME-FDM technique: in vitro and in vivo study AM Onkar Bhingoli, Yogesh Jadhav, Ravikiran Chabukswar, Swapnil Kamble ... Progress in Additive Manufacturing 11 (2), 1-13 , 2026 2026 Citations: 1
Network pharmacology and molecular docking of Nelumbo nucifera Gaertn. to reveal the pharmacological mechanisms in treating TNBS-induced ulcerative colitis … D Mandlik, R Joshi, C Kalsekar, A Kamble, M Magre, A Muthal, S Mandlik, ... In Silico Pharmacology 13 (3), 180 , 2025 2025
Nrf2 signaling in bone health: unlocking new avenues for osteoporosis management MP Lavhale, SK Mandlik, VM Shinde, DS Mandlik Inflammopharmacology 33 (11), 6419-6455 , 2025 2025 Citations: 4
Bone protective potential of Nelumbo nucifera Gaertn. seed hydroalcoholic extract on ovariectomy-induced osteoporosis in Wistar rats via ER/OPG/RANKL signaling pathway DM Pooja Bhalerao, Manoj Magre, Satish Mandlik, Vaibhav Shinde Digital Chinese Medicine 8 (3), 425-442 , 2025 2025
Harnessing Probiotics: Gel-Based Therapies for Diabetic Wound Healing VS Apurva Agharkar, Ankita Kelkar, Tushar Tapadiya, Gajanan Mali, Amol Muthal International Journal of Pharmacognosy 12 (9), 740-751 , 2025 2025
Development and Characterization of Psoralen-Loaded PVP/PCL Electrospun Nanofibers for Wound Healing Applications MR Salunke, V Shinde BioNanoScience 15 (3), 509 , 2025 2025 Citations: 1
QbD-Driven Optimization and Validation of an HPLC Approach for Precise Limonene Quantification in Bergamot Oil VP Malati Salunke, Pooja Phadtare, Tejas Ghadge, Nikhil More, Vaibhav Shinde International Journal of Research and Analytical Reviews 12 (3), 1-16 , 2025 2025
Fabrication of sustainable modified fenugreek gum block copolymer in oral controlled drug delivery system: synthesis, toxicity, in vitro and in vivo pharmacokinetics BN Chandakavathe, R Kulkarni, A Mali, A Muthal, V Shinde, R Kulkarni Journal of Pharmaceutical Innovation 20 (4), 151 , 2025 2025 Citations: 1
Healing with microbial Allies: Exploration of probiotics in wound management M Kadwaikar, V Shinde Microbial Pathogenesis, 107906 , 2025 2025 Citations: 9
Exploring the albumin nanoparticles as the next-generation advanced multifunctional biomaterials for inhalation lung therapy: facts, prospects, and challenges S Kumbhar, C Bobade, P Velapure, D Pawade, C Bothiraja, V Shinde, ... Biomedical Materials & Devices, 1-32 , 2025 2025 Citations: 3
EXPLORING WOUND HEALING POTENTIAL OF MALLOTUS PHILIPPENENSIS INFUSED EMULGELIN DIABETIC RATS VMS V. Pawar, K. Bodas, S. Narkar International Journal of Pharmacognosy 12 (4), 334-341 , 2025 2025
MOST CITED SCHOLAR PUBLICATIONS
Simultaneous quantification of bergenin, catechin, and gallic acid from Bergenia ciliata and Bergenia ligulata by using thin-layer chromatography K Dhalwal, VM Shinde, YS Biradar, KR Mahadik Journal of food composition and analysis 21 (6), 496-500 , 2008 2008 Citations: 195
Application of quality control principles to herbal drugs VM Shinde, K Dhalwal, M Potdar, KR Mahadik International Journal of Phytomedicine 1 (1), 4-8 , 2009 2009 Citations: 161
The War against Tuberculosis: A Review of Natural Compounds and Their Derivatives M Maiolini, S Gause, J Taylor, T Steakin, G Shipp, L Purushottam, ... Molecules 25 (13), 3011 , 2020 2020 Citations: 78
RAPD analysis for determination of components in herbal medicine VM Shinde, K Dhalwal, KR Mahadik, KS Joshi, BK Patwardhan Evidence‐Based Complementary and Alternative Medicine 4, 21-23 , 2007 2007 Citations: 64
Novel R-plasmid conjugal transfer inhibitory and antibacterial activities of phenolic compounds from Mallotus philippensis (Lam.) Mull. Arg. BOM Oyedemi, V Shinde, K Shinde, D Kakalou, PD Stapleton, S Gibbons Journal of Global Antimicrobial Resistance 5, 15-21 , 2016 2016 Citations: 56
Antioxidant Profile and HPTLC-Densitometric Analysis of Umbelliferone and Psoralen in Aegle marmelos . K Dhalwal, VM Shinde, AG Namdeo, KR Mahadik Pharmaceutical Biology 46 (4), 266-272 , 2008 2008 Citations: 55
Rapid densitometric method for simultaneous analysis of umbelliferone, psoralen, and eugenol in herbal raw materials using HPTLC K Dhalwal, VM Shinde, KR Mahadik, AG Namdeo Journal of Separation Science 30 (13), 2053-2058 , 2007 2007 Citations: 53
Gymnema sylvestre: a comprehensive review SE Potawale, VM Shinde, L Anandi, S Borade, H Dhalawat, ... Pharmacologyonline 2, 144-157 , 2008 2008 Citations: 50
Evaluation of in-vitro antioxidant activity of human placental extract V Shinde, K Dhalwal, AR Paradkar, KR Mahadik, SS Kadam Pharmacologyonline 3, 172-179 , 2006 2006 Citations: 42
Efficient and Sensitive Method for Quantitative Determination and Validation of Umbelliferone, Carvone and Myristicin in Anethum graveolens and Carum carvi Seed K Dhalwal, VM Shinde, KR Mahadik Chromatographia 67 (1), 163-167 , 2008 2008 Citations: 37
Pharmacognosy: The changing scenario V Shinde, K Dhalwal Pharmacognosy Reviews 1 (1), 1-6 , 2007 2007 Citations: 35
Optimization and validation of reverse phase HPLC and HPTLC method for simultaneous quantification of vasicine and vasicinone in Sida Species K Dhalwal, VM Shinde, KR Mahadik J Med Plants Res 4 (13), 1289-96 , 2010 2010 Citations: 34
Bioglass and hybrid bioactive material: A review on the fabrication, therapeutic potential and applications in wound healing V Pawar, V Shinde Hybrid Advances 6, 100196 , 2024 2024 Citations: 32
Application of ISSR marker in pharmacognosy: Current update J Kurane, V Shinde, A Harsulkar Pharmacognosy reviews 3 (6), 216 , 2009 2009 Citations: 30
Supercritical fluid extraction: A new technology to herbals V Shinde, K Mahadik International Journal of Herbal Medicine 7 (1), 27-34 , 2018 2018 Citations: 29
Hypoglycemic and hypolipidemic effect of Sida rhombifolia ssp. retusa in diabetic induced animals K Dhalwal, VM Shinde, B Singh, KR Mahadik International Journal of Phytomedicine 2 (2), 160-165 , 2010 2010 Citations: 25
Some issues related to pharmacognosy V Shinde, K Dhalwal, K Mahadik Pharmacognosy Reviews 2 (3), 1 , 2008 2008 Citations: 24
Development and Validation of a TLC-Densitometric Method for the Simultaneous Quantitation of Strychnine and Brucine from Strychnos spp. and its Formulations K Dhalwal, VM Shinde, AG Namdeo, KR Mahadik, SS Kadam Journal of chromatographic science 45 (10), 706-709 , 2007 2007 Citations: 21
Hybrid bionanocomposites as the advancements in biomedical utility P Phadtare, V Viswapriya, V Shinde, D Mathure, MR Salunke Hybrid Advances 8, 100365 , 2025 2025 Citations: 19
Healing of Wounds: A Detailed Review on Models, Biomarkers, Biochemical and Other Wound Assessment Parameters K Bodas, V Shinde International Journal of All Research Education and Scientific Methods … , 2021 2021 Citations: 19