Quest for discovering novel CDK12 inhibitor.

CDK12 is essential for cellular processes like RNA processing, transcription, and cell cycle regulation, inhibiting cancer cell growth and facilitating macrophage invasion. CDK12 is a significant oncogenic factor in various cancers, including HER2-positive breast cancer, Anaplastic thyroid carcinoma, Hepatocellular carcinoma, prostate cancer, and Ewing sarcoma. It is also regarded as a potential biomarker, emphasizing its broader significance in oncology.

Harvesting Health: Phytochemicals in Cognitive Impairment Therapy.

Mild Cognitive Impairment (MCI) is swiftly emerging as a prevalent clinical concern within the elderly demographic. Willoughby spearheaded the pioneering investigation into the evolution of memory decline spanning from the age of 20 to 70. Employing a computerized substitution examination, he pinpointed a zenith in memory prowess at the age of 22, signifying the shift from infancy, succeeded by a gradual decline in later years in 1929.

Biosynthesis and assessment of antibacterial and antioxidant activities of silver nanoparticles utilizing Cassia occidentalis L. seed.

This research explores the eco-friendly synthesis of silver nanoparticles (AgNPs) using Cassia occidentalis L. seed extract. Various analytical techniques, including UV-visible spectroscopy, transmission electron microscopy (TEM), scanning electron microscopy (SEM), X-ray diffraction (XRD), and energy dispersive X-ray spectroscopy (EDX), were employed for comprehensive characterization.

Development and characterization of biogenic copper oxide nanoparticles, with an exploration of their antibacterial and antioxidant potential.

Unlabelled: This study outlines the synthesis of biogenic copper oxide nanoparticles (CuONPs) using an extract derived from (Cf) leaves through a green synthesis approach. Characterization of the synthesized CfBio-CuONPs was carried out using UV- VIS, FTIR, DLS, XRD, and TEM studies. The CfBio-CuONPs exhibited a prominent peak at 272 nm in UV-VIS spectroscopy, and XRD measurements confirmed their crystalline nature.

XGBoost odor prediction model: finding the structure-odor relationship of odorant molecules using the extreme gradient boosting algorithm.

Determining the structure-odor relationship has always been a very challenging task. The main challenge in investigating the correlation between the molecular structure and its associated odor is the ambiguous and obscure nature of verbally defined odor descriptors, particularly when the odorant molecules are from different sources. With the recent developments in machine learning (ML) technology, ML and data analytic techniques are significantly being used for quantitative structure-activity relationship (QSAR) in the chemistry domain toward knowledge discovery where the traditional Edisonian methods have not been useful.

Developing precision agriculture using data augmentation framework for automatic identification of castor insect pests.

Castor ( L.) is an important nonedible industrial crop that produces oil, which is used in the production of medicines, lubricants, and other products. However, the quality and quantity of castor oil are critical factors that can be degraded by various insect pest attacks.

Recent development of multi-targeted inhibitors of human topoisomerase II enzyme as potent cancer therapeutics.

Multi-target therapies have been considered one of the viable options to overcome the challenges to eradicate intrinsic and acquired drug-resistant cancer cells. While to increase the efficacy of therapeutics, the use of a single drug against multiple structurally similar sites, which noncommittedly modulate several vital cellular pathways proposed as a potential alternative to a 'single drug single target'. Besides, it reduces the usage of a number of drugs and their side effects.

Botanicals and Oral Stem Cell Mediated Regeneration: A Paradigm Shift from Artificial to Biological Replacement.

Stem cells are a well-known autologous pluripotent cell source, having excellent potential to develop into specialized cells, such as brain, skin, and bone marrow cells. The oral cavity is reported to be a rich source of multiple types of oral stem cells, including the dental pulp, mucosal soft tissues, periodontal ligament, and apical papilla. Oral stem cells were useful for both the regeneration of soft tissue components in the dental pulp and mineralized structure regeneration, such as bone or dentin, and can be a viable substitute for traditionally used bone marrow stem cells.

Antimicrobial and dye degradation application of fungi-assisted silver nanoparticles and utilization of fungal retentate biomass for dye removal.

The present study utilized Aspergillus spp. for the synthesis of silver nanoparticles (AgNPs); the developed AgNPs were categorized using analytical techniques, that is, ultraviolet-visible (UV-vis) spectrophotometer, Zeta-potential, dynamic light scattering (DLS), and transmission electron microscopy (TEM). A sharp peak of 463 nm highlighted the synthesis of AgNPs; further Zeta-potential of -16 mV indicates stability of synthesized AgNPs.

Potential of Pueraria tuberosa (Willd.) DC. to rescue cognitive decline associated with BACE1 protein of Alzheimer's disease on Drosophila model: An integrated molecular modeling and in vivo approach.

The indispensable role of Beta-site amyloid precursor protein cleaving enzyme-1 (BACE1) in Amyloid beta (Aβ) plaques generation and Aβ-mediated synaptic dysfunctions makes it a crucial target for therapeutic intervention in Alzheimer's disease (AD). In order to find out the potential inhibitors of BACE1, the present study focused on five phytochemicals from Pueraria tuberosa, namely, daidzin, genistin, mangiferin, puerarin, and tuberosin. A molecular docking study showed that all five phytochemicals presented the strongest BACE1 inhibition.

Correction: Synthesis of non-toxic, biocompatible, and colloidal stable silver nanoparticle using egg-white protein as capping and reducing agents for sustainable antibacterial application.

[This corrects the article DOI: 10.1039/C8RA03649G.].

DeepOlf: Deep Neural Network Based Architecture for Predicting Odorants and Their Interacting Olfactory Receptors.

Olfaction transduction mechanism is triggered by the binding of odorants to the specific olfactory receptors (OR's) present in the nasal cavity. Different odorants stimulate different OR's due to the difference in shape, physical and chemical properties. In this paper, a deep neural network architecture DeepOlf, based on molecular features and fingerprints of odorants and ORs, to predict whether a chemical compound is a potential odorant or not along with its interacting OR is proposed.

Identification of phytochemical inhibitors against main protease of COVID-19 using molecular modeling approaches.

Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) is a novel corona virus that causes corona virus disease 2019 (COVID-19). The COVID-19 rapidly spread across the nations with high mortality rate even as very little is known to contain the virus at present. In the current study, we report novel natural metabolites namely, ursolic acid, carvacrol and oleanolic acid as the potential inhibitors against main protease (M) of COVID-19 by using integrated molecular modeling approaches.

DeEPn: a deep neural network based tool for enzyme functional annotation.

With the advancement of high throughput techniques, the discovery rate of enzyme sequences has increased significantly in the recent past. All of these raw sequences are required to be precisely mapped to their respective functional attributes, which helps in deciphering their biological role. In the recent past, various prediction models have been proposed to predict the enzyme functional class; however, all of these models were able to quantify at most six functional enzyme classes ( to ) out of existing seven functional classes, making these approaches inappropriate for handling enzymes corresponding to the seventh functional class ().

Genome-wide identification, characterization, and expression profiling of SPX gene family in wheat.

The SPX gene family, ubiquitous in all vascular plants, plays a critical role in plant development and growth as well as in response to phosphorus stress. Based on genomic census, 46 TaSPX genes were identified in the wheat genome. All of them are evenly distributed on 13 of the 21 wheat chromosomes and chromosome 7A contains the largest members.

Sense of Smell: Structural, Functional, Mechanistic Advancements and Challenges in Human Olfactory Research.

Olfaction, the sense of smell detects and discriminate odors as well as social cues which influence our innate responses. The olfactory system in human beings is found to be weak as compared to other animals; however, it seems to be very precise. It can detect and discriminate millions of chemical moieties (odorants) even in minuscule quantities.

Synthesis of non-toxic, biocompatible, and colloidal stable silver nanoparticle using egg-white protein as capping and reducing agents for sustainable antibacterial application.

For nearly a decade, silver nanoparticles (AgNPs) have been the most prevalent commercial nanomaterials products widely used in different biomedical applications due to their broad-spectrum antimicrobial activity. However, their poor long-term stability in different environments, namely, pH, ionic strength, and temperature, and cytotoxicity toward mammalian cells has restricted their more extensive applications. Hence, there is urgent need to develop highly biocompatible, non-toxic, and stable silver nanoparticles for wide-ranging environments and applications.

Functional and structural insights into candidate genes associated with nitrogen and phosphorus nutrition in wheat (Triticum aestivum L.).

An extensive bioinformatics based study has been performed to gain insight into the structural and functional aspects of candidate genes involved in Nitrogen and Phosphorus nutrition in wheat. Based on our study, 37 N and P nutrition candidate genes were identified (24 NUE and 13 inorganic phosphate transporters) in wheat genome. 23 gene specific novel microsatellites were discovered using genomic sequences of identified N and P nutrition genes.

All ileo-cecal ulcers are not Crohn's: Changing perspectives of symptomatic ileocecal ulcers.

Aim: To investigated clinical, endoscopic and histopathological parameters of the patients presenting with ileocecal ulcers on colonoscopy.

Methods: Consecutive symptomatic patients undergoing colonoscopy, and diagnosed to have ulcerations in the ileocecal (I/C) region, were enrolled. Biopsy was obtained and their clinical presentation and outcome were recorded.

Handgrip Strength as an Important Bed Side Tool to Assess Malnutrition in Patient with Liver Disease.

Background: Malnutrition is frequently present in patients with cirrhosis. Anthropometric measures such as body mass index (BMI), mid arm muscle circumference (MAMC), triceps skin fold thickness (TST) and subjective global assessment (SGA) have some limitations in assessment of malnutrition. This study aims to determine the prevalence of malnutrition in non-hospitalized cirrhotic and chronic hepatitis patients and to assess handgrip (HG) strength as a tool for identifying malnutrition.

Failed common bile duct cannulation during pregnancy: Rescue with endoscopic ultrasound guided rendezvous procedure.

Common bile duct (CBD) stones can lead to serious complications and require intervention with either endoscopic retrograde cholangiopancreatography (ERCP) or laparoscopic techniques for urgent relief. On an average 10%-20% of the patients with gall bladder stones can have associated CBD stones. CBD stones during pregnancy can be associated with hazardous complications for both the mother and the fetus.

Hepatitis C Virus Infection in Patients with End-Stage Renal Disease: A Study from a Tertiary Care Centre in India.

Background: Hepatitis C Virus (HCV) infection is common in patients with end stage renal disease (ESRD) and is an important cause of liver disease. We describe the demographic, clinical and biochemical profile of these patients from a tertiary care center of north India.

Methods: Records of consecutive patients of HCV infection with ESRD on maintenance hemodialysis or with renal transplantation who presented to our unit from January 2009 to June 2013 were analyzed.

Role of Transient Elastography (Fibroscan) in Differentiating Severe Acute Hepatitis and Acute on Chronic Liver Failure.

Introduction: It is difficult to differentiate acute severe hepatitis (AH) with acute on chronic liver failure (ACLF). Aim was to study the role of transient elastography (Fibroscan) in identifying the patients with AH and ACLF.

Materials And Methods: Consecutive patients of severe AH or ACLF presented within two weeks of jaundice were enrolled.