School Of Basic And Applied Sciences

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    Impact of cannabinoid receptors in the design of therapeutic agents against human ailments
    (Bentham Science Publishers, 2023-05-03T00:00:00) Kumar, Ankush; Gupta, Ojasvi; Bhatia, Rohit; Monga, Vikramdeep
    The Cannabinoid (CB) signalling cascade is widely located in the human body and is associated with several pathophysiological processes. The endocannabinoid system comprises cannabinoid receptors CB1 and CB2, which belong to G-protein Coupled Receptors (GPCRs). CB1 receptors are primarily located on nerve terminals, prohibiting neurotransmitter release, whereas CB2 are present predominantly on immune cells, causing cytokine release. The activation of CB system contributes to the development of several diseases which might have lethal consequences, such as CNS disorders, cancer, obesity, and psychotic disorders on human health. Clinical evidence revealed that CB1 receptors are associated with CNS ailments such as Alzheimer�s disease, Huntington�s disease, and multiple sclerosis, whereas CB2 receptors are primarily connected with immune disorders, pain, inflammation, etc. Therefore, cannabinoid receptors have been proved to be promising targets in therapeutics and drug discovery. Experimental and clinical outcomes have disclosed the success story of CB antagonists, and several research groups have framed newer compounds with the binding potential to these receptors. In the presented review, we have summarized variously reported heterocycles with CB receptor agonistic/antagonistic properties against CNS disorders, cancer, obesity, and other complications. The structural activity relationship aspects have been keenly described along with enzymatic assay data. The specific outcomes of molecular docking studies have also been highlighted to get insights into the binding patterns of the molecules to CB receptors. � 2023 Bentham Science Publishers.
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    Anti-proliferative, apoptosis inducing, and antioxidant potential of Callistemon lanceolatus bark extracts: an in vitro and in silico study
    (Springer, 2023-05-08T00:00:00) Kumar, Ramesh; Kushwaha, Prem Prakash; Singh, Atul Kumar; Kumar, Shashank; Pandey, Abhay Kumar
    The present study reports anticancer and antioxidant activities of Callistemon lanceolatus bark extracts. Anticancer activity was studied against MDA-MB-231 cells. Antioxidant assessment of the chloroform and methanol extracts showed considerable free radical scavenging, metal ion chelating, and reducing power potential. Chloroform extract exhibited potent inhibition of cancer cell proliferation in MTT assay (IC50 9.6�?g/ml) and promoted programmed cell death. Reactive oxygen species (ROS) generation, mitochondria membrane potential (MMP) disruption ability, and nuclear morphology changes were studied using H2-DCFDA, JC-1, and Hoechst dyes, respectively, using confocal microscopy. Apoptotic cells exhibited fragmented nuclei, increased ROS generation, and altered MMP in dose- and time-dependent manner. Chloroform extract upregulated the BAX-1 and CASP3 mRNA expression coupled with downregulation of BCL-2 gene. Further, in silico docking of phytochemicals present in C. lanceolatus with anti-apoptotic Bcl-2 protein endorsed apoptosis by its inhibition and thus corroborated the experimental findings. Obatoclax, a known inhibitor of Bcl-2 was used as a reference compounds. � 2023, The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.
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    Synthesis, characterizations of D32DMBC-crystals for applications in biomedical, tribological, electronic filters and in device constructions by theory and practice
    (World Scientific, 2022-05-28T00:00:00) Maalmarugan, J.; Divya, R.; Ganesan, H.; Patel, R.P.; Singh, Atul Kumar; Kumar, Shashank; Vimalan, M.; Kannan, K. Senthil; Dineshkumar, B.
    The single crystalline diethyl 3,3?-[(2,4-dichlorophenyl)methylidene]bis(1H-indole-2-carboxylate) (D32DMBC) samples are fully grown-up in a proper and in a successful manner by the prevailing slowly evaporating methodology. The lattice cell frameworks by XRD modus operandi also corroborated that the D32DMBC crystal system is monoclinic in nature. The structural properties by a conceptual way authenticate the elucidation and also the proper vindication for bond parameters. The nano influx is 3.2768 micron and the film-coated influx of 2.9977 microns as a mid-value between the macro as well as the nano assessment is suitable for electronic filters by D32DMBC crystals, and also used for tribological-coated utility as well as in frequency multipliers. Diabetes mellitus is the repetitive disease in the way of life and sustaining approach of D32DMBC - organic crystals are properly, accurately experimented by the use of the software pertaining to the D32DMBC by docking effect. The affinity inhibitory activity of A74DME and exploratory molecule of D32DMBC are -8.1kJ/mole and -8.4kJ/mole correspondingly. The computational effect of Hirshfeld portrays the internal/external fields as well as the electron higher/lower profile in the shape index proviso for optical utility identification and proper electronic utility. � 2023 World Scientific Publishing Company.
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    Wheat grain proteomic and protein�metabolite interactions analyses provide insights into plant growth promoting bacteria�arbuscular mycorrhizal fungi�wheat interactions
    (Springer Science and Business Media Deutschland GmbH, 2022-04-09T00:00:00) Yadav, Radheshyam; Chakraborty, Sudip; Ramakrishna, Wusirika
    Key message: Proteomic, protein�protein and protein�metabolite interaction analyses in wheat inoculated with PGPB and AMF identified key proteins and metabolites that may have a role in enhancing yield and biofortification. Plant growth-promoting bacteria (PGPB) and arbuscular mycorrhizal fungi (AMF) have an impact on grain yield and nutrition. This dynamic yet complex interaction implies a broad reprogramming of the plant�s metabolic and proteomic activities. However, little information is available regarding the role of native PGPB and AMF and how they affect the plant proteome, especially under field conditions. Here, proteomic, protein�protein and protein�metabolite interaction studies in wheat triggered by PGPB, Bacillus subtilis CP4 either alone or together with AMF under field conditions was carried out. The dual inoculation with native PGPB (CP4) and AMF promoted the differential abundance of many proteins, such as histones, glutenin, avenin and ATP synthase compared to the control and single inoculation. Interaction study of these differentially expressed proteins using STRING revealed that they interact with other proteins involved in seed development and abiotic stress tolerance. Furthermore, these interacting proteins are involved in carbon fixation, sugar metabolism and biosynthesis of amino acids. Molecular docking predicted that wheat seed storage proteins, avenin and glutenin interact with secondary metabolites, such as trehalose, and sugars, such as xylitol. Mapping of differentially expressed proteins to KEGG pathways showed their involvement in sugar metabolism, biosynthesis of secondary metabolites and modulation of histones. These proteins and metabolites can serve as markers for improving wheat�PGPB�AMF interactions leading to higher yield and biofortification. � 2022, The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.
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    Novel 2-(substituted phenyl Imino)-5-benzylidene-4-thiazolidinones as possible non-ulcerogenic tri-action drug candidates: synthesis, characterization, biological evaluation And docking studies
    (Birkhauser Boston, 2019) Chawla P.; Kalra S.; Kumar R.; Singh R.; Saraf S.K.
    The present research was aimed at the synthesis and screening of 35 novel 2-(substituted phenyl imino)-5-benzylidene-4-thiazolidinones having different substitutions at imino phenyl and arylidene groups. The title compounds were synthesized by Knoevenagel condensation at the 5th position of the 4-thiazolidinone ring, in the presence of sodium acetate. The structures were assigned on the basis of spectral data. The compounds were screened for in vivo anti-inflammatory, antinociceptive and in vitro free-radical scavenging activities. The compounds exhibited significant activities when compared with standard drugs. The distinctive property of the derivatives was that none of them had an acidic group, like conventional NSAIDs, but exhibited significant in vivo activity in acute inflammation models. Further, the active compounds of each series were docked against cyclooxygeanase (COX)-2 enzyme using Glide module of Maestro 11.1 program. It was evident from the docking results that 3-chlorophenylimino and 2-chloro moiety on 5-benzylidene nucleus of the 4-thiazolidinone derivative (30) could easily fit into the COX-2-binding pocket, considered as critical interaction for COX-2 inhibition. Interestingly, some of the compounds exhibited the potential of becoming dual action or even triple action drug candidates, which could target degenerative disorders associated with excessive free-radical generation.