Three new complexes of Zn(II) with a quinoline based Schiff base ligand: Syntheses, crystal architectures, Hirshfeld surface analyses, DFT study, photoluminescence and thermal properties

作者: Saha, Shyam Sundar ; Dalbera, Subrata ; Mohanta, Sasankasekhar ; Sparkes, Hazel A.

This report deals with one dinuclear and two mononuclear zinc(II) complexes of compositions [Zn₂L₂(μ_1,1-N₃)(N₃)] (1), [ZnL(NCO)(H₂O)] (2) and [ZnL(NCS)(H₂O)] (3), where HL ((E)-2-ethoxy-6-((quinolin-8-ylimino)methyl)phenol)) is the 1:1 condensation product of 3-ethoxysalicylaldehyde and 8-aminoquinoline.All the three metal complexes have been characterized by C, H, N elemental analyses, FT-IR spectra, single crystal X-ray structures and powder XRD.The structures of 2 and 3 are isomorphous.The metal centers in 1-3 are five coordinated and adopt vacant octahedral or distorted square pyramidal geometry for 1 and distorted trigonal bipyramidal geometry for 2 and 3.Supramol. interactions and topologies in all the three crystal structures have been analyzed, revealing 3-D assemblies in 1-3 due to a number of non-covalent interactions (C-H···O, C-H···N and π···π in 1; C-H···O, O-H···O, O-H···N, π···π and C-H···π in 2; C-H···S, O-H···O, O-H···N, π···π and C-H···π in 3).To gain addnl. insight into the intermol. contacts and their relative contributions towards the packing, Hirshfeld surface analyses have been undertaken for 1-3 and demonstrated in detail with respect to structural parameters, depressions in surfaces, fingerprint plots and enrichment ratios.The thermo-gravimetric and differential thermal analyses (TG/DTA) have been performed and the decomposition patterns are well explained.Steady state and time resolved fluorescence properties have been investigated.Optical band gaps have been determined from the data of the UV-Vis spectra.DFT calculations have been undertaken.The DFT computed HOMO-LUMO gaps corroborate the optical gaps and the DFT computed electrostatic potential (ESP) surfaces rationalize the supramol. interactions nicely.

2024-12-01·Cellular and molecular neurobiology

Microglial Inflammatory Responses to SARS‐CoV‐2 Infection: A Comprehensive Review

Review

作者: Dey, Rajen ; Bishayi, Biswadev

Coronavirus disease 2019 (COVID-19) is primarily a respiratory disease causing a worldwide pandemic in the year of 2019. SARS-CoV-2 is an enveloped, positive-stranded RNA virus that could invade the host through spike protein and exhibits multi-organ effects. The Brain was considered to be a potential target for SARS-CoV-2 infection. Although neuropsychiatric symptoms and cognitive impairments were observed in COVID-19 patients even after recovery the mechanism of action is not well documented. In this review, the contribution of microglia in response to SARS-CoV-2 infection was discussed aiming to design a therapeutic regimen for the management of neuroinflammation and psycho-behavioral alterations. Priming of microglia facilitates the hyper-activation state when it interacts with SARS-CoV-2 known as the 'second hit'. Moreover, the microgliosis produces reactive free radicals and pro-inflammatory cytokines like IL-1β, IFN-γ, and IL-6 which ultimately contribute to a 'cytokine storm', thereby increasing the occurrence of cognitive and neurological dysfunction. It was reported that elevated CCL11 may be responsible for psychiatric disorders and ROS/RNS-induced oxidative stress could promote major depressive disorder (MDD) and phenotypic switching. Additionally, during SARS-CoV-2 infection microglia-CD8⁺ T cell interaction may have a significant role in neuronal cell death. This cytokine-mediated cellular cross-talking plays a crucial role in pro-inflammatory and anti-inflammatory balance within the COVID-19 patient's brain. Therefore, all these aspects will be taken into consideration for developing novel therapeutic strategies to combat SARS-CoV-2-induced neuroinflammation.

2024-12-01·MOLECULAR BIOLOGY REPORTS

Identifying genetic defects in oculocutaneous albinism patients of West Bengal, Eastern India

Article

作者: Sengupta, Mainak ; Dutta, Tithi ; Sil, Asim ; Saha, Arpan ; Ray, Kunal ; Ganguly, Kausik

BACKGROUND:

Oculocutaneous albinism (OCA) is a congenital heterogeneous group of autosomal recessive disorders characterized by the absence or loss of melanin in the skin, eyes and hair of the affected individuals. Based on the mutated gene, OCA has been classified into eight sub-types (OCA1-8) with overlapping clinical phenotypes. Mutations in the TYR gene cause OCA1, the most prevalent OCA worldwide including India. Mutations in OCA2 and SLC45A2, both of which regulate melanosomal pH that is critical to TYR activity, cause OCA2 and OCA4 respectively, the other common OCA subtypes in India.

METHODS:

In the present study, we have included 54 OCA-affected cases from 41 unrelated families representing 16 different marriage/ethnic groups from 17 districts of West Bengal, India. We pursued a PCR-sequencing based approach followed by bioinformatic analysis to identify mutations in TYR, OCA2 and SLC45A2 genes.

RESULTS:

Mutations were detected in 27 of the 54 (50%) OCA patients from 18 unrelated families, representing 9 different marriage/ethnic groups from 11 districts of West Bengal. Three TYR variants: NM_000372.4: c.391 A > G, NP_000363.1: p. Lys131Glu; NM_000372.4: c.1037G > T; NP_000363.1: p. Gly346Val, NM_000372.4: c.715 C > T; NP_000363.1:p.Arg239Trp was identified for the first time in Eastern Indian OCA cases. A novel nonsense variant: NM_016180.5: c.389 T > A, NP_057264.4: p. Leu130* and a novel synonymous variation NM_016180.5: c.1092 A > G; NP_057264.4: p.364E = were identified in SLC45A2. Additionally, NM_016180.5: c.904A > T; NP_057264.4: p. Thre302Ser was identified for the first time in any Eastern Indian OCA case. We identified 2 previously reported mutations in OCA2. In concordance with previous reports, NM_000372.4: c.832C > T, NP_000363.1: p. (Arg278*) was the commonest TYR mutation.

CONCLUSION:

The results of our study enrich the mutational spectrum of the known OCA causing genes in Eastern India, which would facilitate accurate diagnosis, familial screening, carrier detection and containment of the disease load.

项与 University of Calcutta 相关的新闻（医药）

2024-01-18

·GlobeNewswire-Health Care

Iktos announces the appointment of Avirup Bose as Chief Business Officer

Iktos announces the appointment of Avirup Bose as Chief Business Officer Paris (France), 18 January, 2024 – Iktos, a company specialized in Artificial Intelligence for new drug design, announces the appointment of Avirup Bose as Chief Business Officer. Avirup Bose holds a PhD in Chemistry from the University of Nebraska, USA, obtained in 1997. Prior to this, he received a Master of Science in Organic Chemistry from the University of Calcutta, India. Avirup began his career in 1997 as a researcher and professor at the University of Massachusetts Medical School. In 2005, he joined Novartis Institutes for Biomedical Research, where he worked as a Research Investigator then a Senior Investigator specializing in diabetes and cardiovascular & metabolic diseases, before becoming Director of Business Development and Licensing in 2017. In 2022, he was appointed Vice-President of Business Development at Chinook Therapeutics, a NASDAQ-listed clinical-stage biotech company specializing in kidney diseases. Avirup has a recognized expertise in chemistry, biology, drug discovery and business development, and he has been instrumental in the engineering of many important strategic collaboration agreements at Novartis and Chinook Therapeutics. Avirup Bose is appointed Chief Business Officer of Iktos Avirup Bose, Chief Business Officer of Iktos, comments: "Artificial intelligence is revolutionizing the drug discovery process and I want to be a part of it. That’s why I'm thrilled to be joining Iktos, a pioneer in the development of Generative AI for chemistry, whose technology leadership is broadly recognized I look forward to working with my colleagues at Iktos and to doing my part to help realize the promise of AI and accelerate the process of discovering new medicines for unmet needs." Yann Gaston-Mathé, co-founder and CEO of Iktos, comments: "We are extremely pleased to welcome Avirup to Iktos as Chief Business Officer. His in-depth understanding of the challenges facing the pharmaceutical sector and his remarkable experience and track record in successfully closing strategic collaborations agreements will enable us to accelerate our international development. A key member of our team, Avirup will undoubtedly successfully capitalize on the strengths of Iktos towards meaningful development of our business as a strategic partner of pharma for successful drug discovery." --About IktosIncorporated in October 2016, Iktos is a French start-up company specialized in the development of artificial intelligence solutions applied to chemical research, more specifically medicinal chemistry and new drug design. Iktos is developing a proprietary and innovative solution based on deep generative models, which enables, using existing data, to design molecules that are optimized in silico to meet all the success criteria of a small molecule discovery project. The use of Iktos technology enables major productivity gains in upstream pharmaceutical R&D. Iktos offers its technology through the SaaS software platforms Makya™ for generative drug design and Spaya™ for retrosynthesis, and through strategic collaborations with pharma companies where Iktos mobilizes its unique platform and leading edge capabilities to expedite small molecule drug discovery for the benefit of its partners. Iktos is also developing Iktos Robotics, a unique AI-driven synthesis automation platform which dramatically accelerates the Design-Make-Test cycle in drug discovery. More information on: http://www.iktos.ai/ Press contacts: Iktos - Yann Gaston-Mathé (CEO) – contact@iktos.com Pierre-Louis Germain – plgermain@ulysse-communication.com / + 33 6 64 79 97 51 Charles Courbet – ccourbet@ulysse-communication.com / + 33 6 28 93 03 06

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