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In connection with our continuous efforts in the synthesis of derivatives from major compounds isolated from traditional medicinal plants, in the present study we have attempted to synthesize the furan-conjugated aloe-emodin derivatives ( 5a-j ) using a three-component reaction. The synthesized derivatives were assessed for anticancer activity against five different cancer cell lines using the in vitro MTT assay and the results showed that most of the derivatives are potent against cancer cells comparing with the control. Compounds 5a and 5e showed excellent activity against all the cancer cells with less than 12.5 µM and arrested the cell cycle at the G0/G1 phase in both CAL27 and SCC9 cells. Compound 5e induces the early apoptosis in CAL27 cells and compounds 5a and 5e induce early and late apoptosis, respectively, in SCC9 cells. Moreover, compounds 5b , 5c , 5i , and 5j showed excellent anti-inflammatory activity in LPS-stimulated RAW 264.7 cells by inhibiting IL-6 production. The molecular docking studies revealed that compound 5e has strong interaction with the CLK kinase and protein kinase II through hydrogen binding Asp325 and Lys290.

Cancer is a disease that continues to plague our modern society. Among all types of cancer, breast cancer is now the most common type of cancer occurring in women worldwide. Various factors, including genetics, lifestyle, and the environment, have contributed to the rise in the prevalence of breast cancer among women of all socioeconomic strata. Therefore, proper screening for early diagnosis and treatment becomes a major factor when fighting the disease. Artificial intelligence (AI) continues to revolutionize various spheres of our lives with its numerous applications. Using AI in the existing screening process makes obtaining results even easier and more convenient. Faster, more accurate results are some of the benefits of AI methods in breast cancer screening. Nonetheless, there are many challenges in the process of the integration of AI that needs to be addressed systematically. The following is a review of the application of AI in breast cancer screening., Competing Interests: The authors have declared that no competing interests exist., (Copyright © 2022, Dileep et al.)

Removal of the hazardous and endocrine-disrupting 2,4-dichlorophenol (2,4-DCP) from water bodies is crucial to maintain the sanctity of the ecosystem. As a low bandgap material (1.37 eV), NaBiS 2 was hydrothermally prepared and used as a potential photocatalyst to degrade 2,4-DCP under visible light irradiation. NaBiS 2 appeared to be highly stable and remained structurally undeterred despite thermal variations. With a surface area of 6.69 m 2 /g, NaBiS 2 has enough surface-active sites to adsorb the reactive molecules and exhibit a significant photocatalytic activity. In alkaline pH, the adsorption of 2,4-DCP on NaBiS 2 appeared to decrease whereas, the acidic and neutral environments favoured the degradation. An increase in the photocatalyst dosage enhanced the degradation efficiency from 81 to 86 %, because of higher vacant adsorbent sites and the electrostatic attraction between NaBiS 2 and 2,4-DCP. The dominant scavengers degraded 2,4-DCP by forming a coordination bond between chlorine's lone pair of electrons and the vacant orbitals of bismuth, following the order hole> OH > singlet oxygen. Being non-toxic to both natural and aquatic systems, NaBiS 2 exhibits antifungal properties at higher concentrations. Finally, the electron-rich NaBiS 2 is an excellent electrocatalyst that effectively degrades organic pollutants and is a promising material for industrial and environmental applications., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

The advent of COVID-19 has kept the whole world on their toes. Countries are maximizing their efforts to combat the virus and to minimize the infection. Since infectious microorganisms may be transmitted by variety of routes, respiratory and facial protection is required for those that are usually transmitted via droplets/aerosols. Therefore this pandemic has caused a sudden increase in the demand for personal protective equipment (PPE) such as gloves, masks, and many other important items since, the evidence of individual-to-individual transmission (through respiratory droplets/coughing) and secondary infection of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). But the disposal of these personal protective measures remains a huge question mark towards the environmental impact. Huge waste generation demands proper segregation according to waste types, collection, and recycling to minimize the risk of infection spread through aerosols and attempts to implement measures to monitor infections. Hence, this review focuses on the impact of environment due to improper disposal of these personal protective measures and to investigate the safe disposal methods for these protective measures by using the safe, secure and innovative biological methods such as the use of Artificial Intelligence (AI) and Ultraviolet (UV) lights for killing such deadly viruses., (Copyright © 2021 Elsevier Inc. All rights reserved.)

A series of oxime ester-derivatives were prepared by utilizing the schizandrin (1), a major compound isolated from Schisandra grandiflora, which is deployed in different traditional system of medicine. The in vitro antiproliferative activities of the synthesized compounds were assessed against a selected panel of human cancer cell lines (A549, RKO P3, DU145 and Hela) and normal cell (HEK293). Several of these derivatives were found more potent in comparison to parent compound, schizandrin (1). Particularly, 4a and 4b demonstrated potent activity against DU-145 and RKOP3 cell lines with IC 50 values of 3.42 µM and 3.35 µM respectively. To characterize the molecular mechanisms involved in antitumoral activity, these two compounds, 4a and 4b were selected for further studies. Cell cycle analysis revealed that both the compounds were able to induce apoptosis and cell cycle arrest at G 0 /G 1 phase. To know the extent of apoptosis in DU145 and RKOP3 cell lines, Annexin V-FITC were performed. Moreover, the tubulin polymerization assay indicated that 4a and 4b exhibits potent inhibitory effect on the tubulin assembly. Molecular docking studies and competitive binding assay also indicated that 4a and 4b effectively bind at the colchicine binding site of the tubulin., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2020 Elsevier Ltd. All rights reserved.)

In the present paper, a multivariate statistical modeling study of water quality data from different places of Kozhikode Gity, Kerala, India, has been conducted applying multiple linear regression (MLR), structural equation modeling (SEM), and adaptive neuro-fuzzy inference system (ANFIS) modeling. First, we combined water quality data from different places in the study area over different time periods to obtain a unified multiple linear regression (MLR) model. By mixing three data sets from different places and time periods in four different ways, different regression models were formed with total dissolved solids (TDS) as the dependent variable and calcium, magnesium, nitrate, sodium, chloride, potassium, total hardness, and sulfate as independent variables. The effectiveness of each model was then tested against a data set, which corresponded to a different period and location. One unmixed model and three mixed models showed similar performance. An SEM was developed for the data set, which is obtained by mixing all the three data sets. The same regression coefficients are found for the SEM and the corresponding MLR. An improvement in the sample size as a result of mixing of data sets could be thought of as the reason for this phenomenon. We thus selected the MLR obtained by mixing all three data sets as our unified model. For the mixed data set, we then developed an ANFIS model with calcium, magnesium, nitrate, sodium, chloride, potassium, total hardness, and sulfate as input variables and TDS as the output variable. On the external data set, the ANFIS model showed a better performance than the MLR model.

In continuation of our investigation of pharmacologically-motivated natural products, we have isolated bergenin (1) as a major compound from Mallotus philippensis, which is deployed in different Indian traditional systems of medicine. Here, a series of bergenin-1,2,3-triazole hybrids were synthesized and evaluated for their potentials against a panel of cancer cell lines. Several of the hybrid derivatives were found more potent in comparison to parent compound bergenin (1). Among them, 4j demonstrated potent activity against A-549 and HeLa cell lines with IC 50 values of 1.86 µM and 1.33 μM, respectively, and was equipotent to doxorubicin. Cell cycle analysis showed that 4j arrested HeLa cells at G2/M phase and lead to accumulation of Cyclin B1 protein. Cell based tubulin polymerization assays and docking studies demonstrated that 4j disrupts tubulin assembly by occupying colchicine binding pocket of tubulin., (Copyright © 2019. Published by Elsevier Inc.)

Prader-Willi syndrome (PWS), an imprinted neurodevelopmental disorder characterized by metabolic, sleep and neuropsychiatric features, is caused by the loss of paternal SNORD116, containing only non-coding RNAs (ncRNAs). The primary SNORD116 transcript is processed into small nucleolar RNAs (snoRNAs), which localize to nucleoli, and their spliced host gene 116HG, which is retained at its site of transcription. While functional complementation of the SNORD116 ncRNAs is a desirable goal for treating PWS, the mechanistic requirements of SNORD116 RNA processing are poorly understood. Here we developed and tested a novel transgenic mouse which ubiquitously expresses Snord116 on both a wild-type and a Snord116 paternal deletion (Snord116+/-) background. Interestingly, while the Snord116 transgene was ubiquitously expressed in multiple tissues, splicing of the transgene and production of snoRNAs was limited to brain tissues. Knockdown of Rbfox3, encoding neuron-specific splicing factor neuronal nuclei (NeuN) in Snord116+/--derived neurons, reduced splicing of the transgene in neurons. RNA fluorescence in situ hybridization for 116HG revealed a single significantly larger signal in transgenic mice, demonstrating colocalization of transgenic and endogenous 116HG RNAs. Similarly, significantly increased snoRNA levels were detected in transgenic neuronal nucleoli, indicating that transgenic Snord116 snoRNAs were effectively processed and localized. In contrast, neither transgenic 116HG nor snoRNAs were detectable in either non-neuronal tissues or Snord116+/- neurons. Together, these results demonstrate that exogenous expression and neuron-specific splicing of the Snord116 locus are insufficient to rescue the genetic deficiency of Snord116 paternal deletion. Elucidating the mechanisms regulating Snord116 processing and localization is essential to develop effective gene replacement therapies for PWS.

Background: Pendred syndrome is a rare, inherited, autosomal recessive disorder with an iodine organification defect of thyroxin produced by the thyroid gland. Its clinical features include sensorineural hearing loss, classically congenital and prelingual, and goiter., Methods: This is the first case report of Pendred syndrome in the dental literature with oral findings that include localized extensive attachment loss involving mandibular incisor teeth and idiopathic hypercementosis involving multiple teeth in addition to other oral manifestations, suggesting hypothyroidism-like macroglossia and macrocheilia. Furthermore, serum alkaline phosphatase along with inorganic calcium and phosphate levels were also elevated. Peripheral neutrophil function test suggested a defective function of neutrophils., Results: Management of the case included augmenting thyroxin supplementation, in consultation with an endocrinologist, and extraction of hopeless mandibular central incisors followed by placement of immediate transitional dentures., Conclusion: A comprehensive medical history and systemic and laboratory evaluations should be considered a prerequisite to identify, manage, and report such rare conditions in routine clinical practice.

Tuberculosis is a chronic systemic granulomatous disease which rarely affects the oral cavity. Oral lesions can be either primary or secondary to systemic tuberculosis, the former being rare. This is a never-before reported case of primary tuberculosis presenting as a localized diffuse gingival enlargement in an 11-year-old Indian female patient. The diagnosis was reached through identification of positive histopathological features, Tuberculin test results, presence of anti-tubercular antibodies confirmed by a polymerase chain reaction. In view of the recent increase in the incidence of tuberculosis and the prevalence of the same, it is reasonable to include tuberculosis in the differential diagnosis of gingival enlargements. This is essential to avoid any serious complications for both the clinician and patient due to a delay in the diagnosis of such a rare but plausible oral condition.

Background: Osteopontin (OPN), a glycosylated phosphoprotein, is a bone matrix component produced by osteoblasts, osteoclasts, and macrophages as a multifunctional cytokine. OPN anchors osteoclasts to the bone surface, and its absence leads to impaired bone resorption. The aim of the present study was to assess the relation between clinical parameters and concentrations of OPN within gingival crevicular fluid (GCF) from inflamed gingiva and periodontitis sites and, subsequently, after the treatment of periodontitis sites., Methods: A total of 45 subjects were divided into the following three groups based on modified gingival index (MGI) and Ramfjord periodontal disease index (PDI) scores: healthy (group I), gingivitis (group II), and chronic periodontitis (group III). A fourth group consisted of 15 subjects from group III, 6 to 8 weeks after treatment (i.e., scaling and root planing [SRP]). GCF samples collected from each patient were quantified for OPN using the enzymatic immunometric assay. Further, the correlation between OPN levels in situ with clinical parameters was analyzed in all groups and before and after treatment in periodontitis patients., Results: The highest mean OPN concentration in GCF (14.347 microg/ml) was observed in group III, and the lowest mean OPN concentration in GCF (2.522 microg/ml) was observed in group I. Its levels in group III decreased to 8.419 microg/ml after treatment (group IV). Further, GCF OPN levels in all the groups showed a statistically significant positive correlation with clinical attachment loss (P <0.05)., Conclusions: OPN levels increase in GCF from healthy to periodontitis states, and periodontal treatment results in the reduction of OPN levels. The data indicate that OPN may play a key role in, and could be considered a biomarker of, periodontal disease progression.

With the advent of effective drug therapy, tuberculous lesions of the oral cavity have become so rare that they are frequently forgotten. Primary gingival tuberculosis is extremely rare and usually manifests as ulcer. We report the first case of primary tuberculosis manifesting as gingival enlargement, which was the only presenting sign of tuberculosis. Diagnosis was based on histopathology (hematoxin and eosin staining), complete blood count, polymerase chain reaction assay and immunologic investigation with the detection of antibodies against Mycobacterium tuberculosis. The possibility of gingival enlargement due to drugs, leukemia, fungus and sarcoidosis was ruled out. Antituberculous therapy over 6 months was followed by surgical excision of the residual enlargement under local anesthesia. After 1-year follow-up there was no recurrence of the disease. This case emphasizes the need for dentists to include tuberculosis in the differential diagnosis of gingival enlargement so that they may play a role in its early detection.

In the past, various models including the autoimmunity model have been proposed to explain the pathogenesis of periodontal diseases. The aim of this review is to introduce the pathogenic role of anti-neutrophil cytoplasmic autoantibodies (ANCAs) in various autoimmune diseases and compare these conditions with periodontal disease to elucidate common pathogenic mechanisms. Also, a novel model to explain the pathogenesis of periodontal disease based on the concept of ANCA-associated autoimmunity is proposed. This encompasses a wide array of biochemical mediators that range from direct and indirect initiators of ANCA production and eventual release of proinflammatory mediators and free radicals, all of which have been implicated in periodontal tissue destruction in the past. In addition, specific links between the typical ANCA-associated diseases and periodontal disease are discussed. Finally, a new paradigm in the periodontal disease-associated destruction is proposed that includes the currently accepted mechanism, namely, the genetic-microbial-host interactions.