Journal of Molecular Genetics and Gene Research
Mercury-Induced Structural Alterations and RuBisCO-Metal Interaction in Grewia asiatica L.: A Microscopic and Molecular Docking Study
Abstract
Swarup Mukherjee, Pritish Mitra and Sabyasachi Chatterjee
Mercury (Hg2+) is a highly toxic metal of growing environmental concern due to its persistence, bioaccumulation, and widespread release from industrial and agricultural sources. The use of green plants for in situ remediation offers a sustainable and cost-effective alternative to conventional mercury management strategies. This study investigates the mercury tolerance potential of Grewia asiatica L., a medicinal shrub, through integrated anatomical and bioinformatics approaches. Seedlings were exposed to 1000 ppm mercuric chloride (HgCl2) under controlled conditions, and anatomical responses in leaf and root tissues were assessed using Field Emission Scanning Electron Microscopy (FESEM). Treated samples showed marked structural abnormalities, including guard cell swelling, stomatal distortion, and disorganization of root parenchyma, indicative of mercury-induced cellular stress. To complement the anatomical analysis, in silico studies focused on the ribulose bisphosphate carboxylase (RuBisCO) a large subunit protein (UniProt ID: A0A223AIW3). The 182-residue protein exhibited stable physicochemical characteristics and was modelled using AlphaFold. Structure validation yielded strong metrics (PROCHECK: 93.3%, Verify3D: 83.52%). Molecular docking via CB-Dock2 revealed a high-affinity interaction between RuBisCO and Hg2+ ions, suggesting a possible role in metal binding or detoxification. These findings, derived from both anatomical observations and computational modelling, provide novel insights into the mercury stress response of Grewia asiatica and support its potential use in phytoremediation strategies for mercury- contaminated environments.