http://nopr.niscpr.res.in/handle/123456789/60005 2026-10-11T11:00:48Z http://nopr.niscpr.res.in/handle/123456789/60014 Title: Phytochemistry and Pharmacology of Calotropis gigantea — An update Authors: Sharma, Meenakshi; Delta, Anil Kumar; Kaushik, Prashant Abstract: Calotropis gigantea is a perennial herb known for its applications in traditional medicine. It has been efficiently used in Ayurveda, Unani, and Siddha medicinal systems for years. All the plant parts have been used as medicine owing to its analgesic, anthelmintic, astringent, anti-inflammatory, wound healing, sedative, anti-asthmatic, antimicrobial, antioxidant, procoagulant, hepatoprotective, hypoglycemic, and pregnancy interceptive properties. For instance, the leaves, latex, flowers, stem bark, root of the plant are used as expectorant, depilatory, in leprosy scabies of the scalp, eruptions on the body, piles, asthma, liver and spleen enlargement, and painful joint swellings. Moreover, the plant is beneficial for the treatment of various diseases including tumors, ulcers, and piles thereby providing great opportunity to be used in pharmaceutical industry for modern drug synthesis. Phytochemical constituents of the plant responsible for its pharmacological activities include alkaloids, triterpenoids, flavonoids, saponins, steroids, alcohol, fatty acids, esters of calotropeols, glycosides and proteases. Besides, there is a strong correlation between the chemical structures and therapeutic activity of C. gigantea. Therefore, present review tries to give a brief description of its phytochemical composition, ethnobotanical characteristics, and pharmacological activity. Page(s): 611-618 2022-06-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/60013 Title: Identification of potential AChE inhibitors through combined machine-learning and structure-based design approaches Authors: Ganeshpurkar, Ankit; Singh, Ravi; Singh, Ravi Bhushan; Kumar, Devendra; Kumar, Ashok; Singh, Sushil Kumar Abstract: Alzheimer’s disease (AD) is an irreversible, progressive neurodegenerative disease characterised by dementia.The depletion of acetylcholine (ACh) is involved the synaptic cleft is responsible for dementia due to neuronal loss. The acetylcholinesterase (AChE) enzyme isinvolved in the hydrolytic degradation of ACh and its inhibition is therapeutically beneficial for the treatment in memory loss.The use of machine learning (ML) for the identification of enzyme inhibitors has recently become popular. It identifies important patterns in the reported inhibitors to predict the new molecules. Hence, in this study, a set of support vector classifier-based ML models were developed,validated and employed to predict AChE inhibitors. Further, 247 predicted compounds obtained through PAINS and molecular property filters were docked on the AChE enzyme. The docking study identified compounds AAM132011183, ART21232619 and LMG16204648 as AChE inhibitors with suitable ADME properties. The selected compounds produced stable interactions with enzymes in molecular dynamics studies. The novel inhibitors obtained from the study may be proposed as active leads for AChE inhibition. Page(s): 619-631 2022-06-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/60012 Title: Immunocytochemical evidence of histamine 1 and histamine 2 receptors on mice sperm Authors: AzimahAhmad@Aziz, Nor; Hashim, Noor Hashida; Yusuf, Yusmin Mohd Abstract: Histamine is a biogenic amine which is synthesised by L-histidine decarboxylase enzyme (HDC). The histamine 1 and 2 antagonist administrations have been highly reported to cause detrimental effect on sperm parameters, which arisen the speculation of histamine 1 (H1R) and histamine 2 (H2R) receptors might be present in sperm. The present study was aimed to provide evidence on the localisation of H1R and H2R on mice sperm through immunocytochemistry. The sperm was harvested from cauda epididymis. After one hour of incubation, sperm suspension was smeared onto a poly-lysine-coated slide and allowed to dry before fixation and permeabilisation processes. The primary antibody encoded for receptors was exposed to the fluorescently tagged antibody; fluorescein isothiocyanate (FITC) conjugate followed by nuclear staining with 4, 6-diamino-2-phenylindole dihydrochloride (DAPI). The testis, stomach, and skin were used as the positive controls. Our data showed that both receptors have been expressed on the midpiece and acrosome of mice. The present result was the first discovery of the presence and immunolocalisation of H1R and H2R on mice sperm. Therefore, present study proposes that these receptors could be involved in calcium regulatory mechanism and protein phosphorylation which are responsible for fertilisation-related processes. Page(s): 632-639 2022-06-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/60011 Title: Molecular docking and Antibacterial activities of Cobalt (II) complexes derived from precursors of Hydrazones Authors: Kothari, Richa; Agrawal, Anurag; Rai, Sanchita Abstract: The Schiff base ligands in their deprotonated forms have been utilized to synthesize thermodynamically and kinetically stabilized Cobalt(II) complexes. In the complexes, cobalt ion present is in distorted octahedral arrangement and is coordinated by four tridentate ligands in complexes. The synthesized Schiff base ligands coordinate with Cobalt (II) ion through four azomethine nitrogen atoms and two sulfur atoms developing a 6- membered chelate ring. Synthesized Cobalt(II) complexes via hexadentate ligands have been characterized thoroughly through various spectroscopic techniques like FT-IR, UV-Vis, 1HNMR, TGA, TEM, SEM, Particle size, Elemental analysis (C, H, N, Co, S) and conductivity measurements. All Cobalt(II) complexes have been evaluated for in vitro antimicrobial activity against isolated bacterial strains of E. coli (MTCC-1687), E. faecalis (MTCC-439), S. aureus (MTCC-737) and MR S. aureus (Indigenous). All Cobalt complexes show mild to moderate antibacterial activity. The MIC ranged from 50 μg/ mL to 3.125 μg/ mL. All Cobalt(II) complexes displayed in-vitro antibacterial activity against both gram-positive and gram-negative bacterial strains. It may be proved that the antibacterial activity of the complexes is related to the cell wall structure of the tested bacteria. In-vitro toxicity tests explained the Cobalt complexes were less cytotoxic than the Vancomycin drug on A431 cancer cell lines and the results explain that synthesized Cobalt complexes can act as potent antimicrobial agents and can be considered as a good drug candidate for medicinal chemistry researchers. Page(s): 640-652 2022-06-01T00:00:00Z