Publications by authors named "S M Jaimohan"

In recent years, intensive research efforts have focused on translating biomass waste into value-added carbon materials broadcasted for their significant role in energy and environmental applications. For the first time, high-performance carbonaceous materials for energy storage applications were developed from the multi-void structure of the boat-fruited shells of Sterculia Foetida (SF). In that view, synthesized mesoporous graphitic activated carbon (g-AC) via the combination of carbonization at various elevating temperatures of 700, 800, and 900 °C, respectively, and alkali activation by KOH, with a high specific surface area of 1040.

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Our present work studies the structure-based pharmacophore modeling and designing inhibitor against Gal3 receptor through molecular dynamics (MD) simulations extensively. Pharmacophore models play a key role in computer-aided drug discovery like in the case of virtual screening of chemical databases, drug design and lead optimization. Structure-based methods for developing pharmacophore models are important, and there have been a number of studies combining such methods with the use of MD simulations to model protein's flexibility.

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Background: "Avians" often show efficient oxygen management to meet the demands of their metabolism. Hemoglobin, a transporter protein consists of four non-covalently linked subunits contain haem binding hydrophobic pocket serves as a site of allosteric cooperativity. The physiology and anatomy of both mammals and avian are functionally different, in birds, the respiratory system formed by small air sacs that serve as tidal ventilation for the lungs and have no significant exchange across their cells.

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Article Synopsis
  • The study focuses on two food-derived peptides, RALP and WYT, which have antihypertensive effects by inhibiting both renin and angiotensin-converting enzyme (ACE) in the Renin-Angiotensin System.
  • Molecular docking and dynamics simulations were employed to analyze how these peptides interact with renin and ACE, revealing different binding behaviors that influence their effectiveness.
  • Findings suggest that while the peptides are less effective at binding to renin due to potential displacement from critical areas, they remain stable in ACE's binding site, indicating opportunities for improving their dual-targeting capabilities.
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Haemoglobin is an interesting physiologically significant protein composed of specific functional prosthetic haem and globin moieties. In recent decades, there has been substantial interest in attempting to understand the structural basis and functional diversity of fish haemoglobins (Hbs). Towards this end, purification, crystallization, preliminary X-ray diffraction and molecular-replacement studies have been carried out on Clarias magur Hb.

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