ABSTRACT
Human intelectin-1 (hITL-1) has been known to be involved in diseases such as asthma, cancer, metabolic disorders, and inflammatory bowel disease. In the present study, we aimed to evaluate hITL-1 as modulator of metabolic syndrome (MetS) using an in silico approach. AQ2 - The eight selected human (h) proteins, namely tumor necrosis factor-alpha (hTNF-alpha), myeloid differentiation primary response protein 88 (hMyD88), toll like-receptor 4 (hTLR4), cyclooxygenase 2 (hCOX 2), vascular cell adhesion molecule 1 (hVCAM 1), nuclear factor kappa B (hNF kappa B), leptin (hleptin), and interleukin 6 (hIL 6), were investigated on the docking analysis of hITL-1 (protein-protein) by using the HDOCK method. Furthermore, physicochemical properties of eight interested proteins were carried out using ProtParam tool. In the present study, two selected proteins, namely hMyD88, hCOX 2, have shown theoretical isoelectric point (PI) values greater than 7.0 which indicates these proteins are basic in nature. The protein-protein docking analysis showed that hNF kappa B exhibited the maximum docking score of -311.95 (kcal/mol) with the target protein hITL 1. Thus, the present find provides a new knowledge in understanding the hITL 1 as modulator of metabolic syndrome.
ABSTRACT
Background: Wood apple (Limonia acidissima) has been reported to possess various pharmacological activities. The present study aimed to evaluate the 11 selected constituents of Wood apple (L. acidissima) as potent anti-dandruff and anti-acne agents using a molecular docking approach. Materials and Methods: The 11 selected constituents of Wood apple were studied on the molecular docking behavior of Malassezia globosa Lipase-1 and Cutibacterium acnes beta-keto acyl synthase-III enzymes by using the patchdock method. Furthermore, STITCH analysis was carried out to determine the ligand-protein interactions. STITCH analysis reveals that two ligands, namely, psoralen and umbelliferone, have exhibited interactions with both the M. globosa and P. acnes KPA 171202 proteins. Results: The docking studies revealed that isopimpinellin and saponarin exhibited the highest (ACE) atomic contact energy (-162.32 and - 318.63 kcal/mol) with that of M. globosa Lipase-1 and C. acnes beta-ketoacyl synthase-III, respectively. Conclusion: Thus, the present finding provides new knowledge for understanding the 11 selected ligands of Wood apple (L. acidissima) as potent anti-dandruff and anti-acne agents.
ABSTRACT
We report an unusual case of poisoning involving the white seed variety of Abrus precatorius that caused serious manifestations in a middle-aged male who had consumed the seeds on the advice of a folk medicine practitioner. He recovered after a prolonged duration of hospital treatment without any subsequent complications or sequelae. The case is being reported on account of its rarity.
