Biological evaluation of gallic acid and quercetin derived from Ceriops tagal: insights from extensive in vitro and in silico studies.

Gallic acid (PubChem CID: 370) and quercetin (PubChem CID: 5280343) are major phenolic compounds in many mangrove plants that have been related to health cure. In the present study, the active fractions namely gallic acid (1) and quercetin (2) were isolated from the methanolic extract of leaves of Ceriops tagal in a Tropical mangrove ecosystem of Andaman and Nicobar Island (ANI), India. The chemical structures were determined by spectroscopic analysis: Fourier-Transform Infrared spectroscopy (FT-IR), 1H, 13C Nuclear Magnetic Resonance (NMR) spectroscopy, and High-resolution mass spectrometry (HRMS). The anticancer activity of isolated compounds (1) and (2) were evaluated by in vitro assays against two human cancer cell lines namely, HeLa (Cervical) and MDA-MB231 (Breast) cancer cells revealed that IC50 values of gallic acid (HeLa: 4.179197 ± 0.45 µg/ml; MDA-MB231: 80.0427 ± 0.19 µg/ml at 24 h) and quercetin (HeLa: 99.914 ± 0.18 µg/ml; MDA-MB231: 18.288382 ± 0.12 µg/ml at 24 h), respectively. Antioxidant properties of gallic acid (1) and quercetin (2) are found to be IC50 value of 0.77 ± 0.41 µg/ml and 1.897 ± 0.81 µg/ml, respectively. Molecular docking results explained that gallic acid (1) and quercetin (2) showed estimated binding free energy (ΔG) of -5.4 and -6.9 kcal/mol towards drug target Bcl-B protein, respectively. The estimated inhibition constant (Ki) for these two molecules are 110 and 8.75 µM, respectively. The MD simulation additionally supported that quercetin molecule is significantly improved the structural stability of Bcl-B protein. The present study provides key insights about the importance of polyphenols, and thus leads to open the therapeutic route for anti-cancer drug discovery process.Communicated by Ramaswamy H. Sarma.

Assessment of bioavailable nitrogen and phosphorus content in the sediments of Indian mangroves.

Efficient nutrient cycling and adequate sediment bioavailable nutrient supply are considered to be the two most important factors regulating the high productivity and subsequent carbon sequestration by mangrove ecosystems. We assessed spatial variability and the possible regulating factors of sediment bioavailable nutrients (nitrogen (N) and phosphorus (P)) and surface water-dissolved nutrients (N, P and silicate (Si)) in the five ecologically important mangrove ecosystems along the east and west coast of India during dry season. Higher bioavailable nitrogen concentrations in the sediments were recorded in Coringa mangroves (36.27 ± 14.7 µg g-1) and Bhitarkanika (18.54 ± 5.9 µg g-1) mangroves in the east coast followed by Karnataka (15.51 ± 8.26 µg g-1), Goa, (10.18 ± 9.96 µg g-1) and Kerala (6.36 ± 5.05 µg g-1) mangroves in the west coast. The dissolved inorganic nutrients in the mangrove waters ranged between 5.1 and 220.9 µmol l-1 for N and 0.07 and 3.9 µmol l-1 for P. These results indicated that terrestrial inputs, in situ remineralization and prevalent anoxic conditions regulated sediment nutrient content in these ecosystems, whereas the higher ammonium in the sediments was attributed to the greater nutrient adsorption by finer particles. The stoichiometry of the bioavailable nutrients (N, P) in the mangrove sediments deviated drastically from the Redfield ratio, and strong P limitation was recorded in most of the ecosystems. The results highlighted the potential role of sediment particle size and physiochemical (salinity and pH) properties in regulating bioavailable nutrient dynamics in mangrove sediments.