Netaji Subhas Mahavidyalaya

INTRODUCTION:The disability and mortality related to Parkinson's disease (PD), a neurodegenerative disease, are increasing globally at a faster rate than other neurological disorders. With no permanent cure for PD, there is an urgent need to develop novel and effective anti-PD drugs. METHODS:Targeting monoamine oxidases (MAO), which catalyze the breakdown of neurotransmitters, is one way to treat neurodegenerative diseases. In this context, an initial molecular docking of twenty designed sulfonyl derivatives of benzimidazole against monoamine oxidase B (MAO-B) associated with PD was conducted using AutoDock Vina. RESULTS:The results were compared with those of the conventional inhibitors, selegiline and rasagiline. Based on the docking score, the in silico pharmacokinetic properties (ADME), drug-likeness, and toxicity profiles of the newly synthesized molecules were examined using SwissADME, PreADMET, ProTox-3.0, vNN, and ADMETlab web tools. Then, twelve potential derivatives were synthesized and characterized by IR, 1H-NMR, 13C-NMR, 19F-NMR (for some compounds), and mass spectrometry. Derivatives 2cj and 1bj were the two molecules having the best binding affinity of -11.9 and -11.8 kcal/mol, respectively, against MAO-B, exhibiting a higher binding affinity compared to that of some commercially available drugs. A 50 ns MD simulation run was performed to observe the stability of the top two docked complexes, MAO-B-2cj and MAO-B-1bj, in order to further validate the efficacy of those two substances. Moreover, the MM-PBSA method was used to calculate the final, binding free energy of the simulated (MAO-B-2cj) complex. CONCLUSION:This study indicates that the binding affinity of most of the hits was superior to that of known MAO inhibitors; therefore, these newly synthesized benzimidazole derivatives may be developed into essential drug candidates for the treatment of PD.

Gully erosion is one of the most severe forms of water-induced land degradation, rapidly removing fertile soil, reducing agricultural productivity, and leading to long-term changes in landscape morphology. Micro-scale, time-series documentation of such change remains limited in the Himalayan foothills of North Bengal. This study maps and interprets gully evolution in Satkura Village, Jalpaiguri, India, using multi-temporal Google Earth Pro imagery (2012, 2017, 2022, 2024 and 2025), GIS-based manual digitization, GPS verification and rope-tape cross-section surveys. Gully area increased from 1247.54 m² in 2012 to 5687.53 m² in 2025, a net increase of 355.90

Sikkim’s tourism sector has become a key driver of economic growth, significantly contributing to per capita NSDP and employing nearly one-third of the workforce. Yet, the sharp revival of tourism in 2022–23, when visitor numbers exceeded 2.5 times the resident population in designated areas, exposed critical socio-environmental vulnerabilities. These included food shortages, escalating living costs, and revenue leakage, along with ecological pressures from unstable landforms and shrinking cultivable land that increase dependence on neighboring states. Efforts to address seasonality have extended the domestic tourist season to nine months, but extreme weather events, such as the June 2023 flood, continue to undermine destination resilience. Solid waste management remains another pressing concern, with only 40

Bamboo shoots are a popular vegetable in the ethnic population of NE India. The study’s main objective is to identify the compounds available in the volatile oil of Bambusa polymorpha, to determine their binding affinity against different bacterial target proteins and in vitro antibacterial activity against bacterial strains with which compounds exhibit significant binding affinity. In light of this, the current study is designed to conduct GC-MS analysis to identify the compounds in the volatile oil fraction of B. polymorpha. Molecular docking studies of identified molecules were conducted against target proteins of Staphylococcus aureus, Escherichia coli, and the New Delhi Metallo(NDM)-beta-lactamase. The molecular docking and molecular dynamic (MD) simulation revealed that compounds BP_13 and BP_15 exhibited good binding affinity towards the target of DHFR of S. aureus. BP_13, BP_15, and trimethoprim (co-ligand) binding affinity with DHFR were –8.7, –10.0, and –7.5 kcal/mol, respectively. The in vitro activity of the extract against S. aureus was evaluated, and the MIC value was 250 μg/mL. The predicted ADME parameters of BP_13 and BP_15 are within the permissible range, and these compounds may be developed into more potential antibacterial agents.

Cardiovascular disease is estimated to be responsible for one-third of all global deaths annually. It occurs mostly due to hyperlipidemia, a condition where excessive cholesterol deposits in blood vessels. A favorable target for treating hyperlipidemia involves the crucial role of inhibition of a specific enzyme known as 3-Hydroxy-3-methylglutaryl coenzyme A reductase (HMG-CoA reductase). The primary goal of this present study is to identify potential HMG-CoA reductase inhibitors containing tetracyclic triterpene nucleus derived from mushrooms. A library of 86 myco-constituents bearing a tetracyclic triterpene scaffold was prepared and screened to identify potential HMG-CoA reductase inhibitors targeting proteins 1HW8 and 1HW9. For this purpose, molecular docking, ADME prediction, and molecular dynamics (MD) simulation studies were performed on this in-house prepared database. The virtual screening results exhibited M_02(c) as the best hit with promising SP Glide scores compared to standard statin drugs. In order to assess the stability and interactions, a 100 ns MD simulation was performed. Further, M_02(c) was also analysed for MMGBSA binding energy to access and validate the thermodynamic stability of the protein-ligand complex. The results of this study revealed that M_02(c) is a promising hit molecule and may emerge as a potent HMG-CoA reductase inhibitor in preventing and treating hyperlipidemia.