Development, Pre-Clinical Safety, and Immune Profile of RENOVAC-A Dimer RBD-Based Anti-Coronavirus Subunit Vaccine.

The development of effective and safe vaccines and their timely delivery to the public play a crucial role in preventing and managing infectious diseases. Many vaccines have been produced and distributed globally to prevent COVID-19 infection. However, establishing effective vaccine development platforms and evaluating their safety and immunogenicity remains critical to increasing health security, especially in developing countries.

Computational studies and structural insights for discovery of potential natural aromatase modulators for hormone-dependent breast cancer.

Introduction: The aromatase enzyme plays an important role in the progress of hormone-dependent breast cancer, especially in estrogen receptor-positive (ER+) breast cancers. In case of postmenopausal women, the aromatization of androstenedione to estrone in adipose tissue is the most important source of estrogen. Generally 60%-75% of pre- and post-menopausal women suffer from estrogen-dependent breast cancer, and thus suppressing estrogen has been recognized to be a successful therapy.

A Multicenter Training and Interrater Reliability Study of the BASED Score for Infantile Epileptic Spasms Syndrome.

Purpose: The best possible outcomes in infantile epileptic spasms syndrome require electroclinical remission; however, determining electrographic remission is not straightforward. Although the determination of hypsarrhythmia has inadequate interrater reliability (IRR), the Burden of AmplitudeS and Epileptiform Discharges (BASED) score has shown promise for the reliable interictal assessment of infantile epileptic spasms syndrome. Our aim was to develop a BASED training program and assess the IRR among learners.

Discovery of Substituted 2-oxoquinolinylthiazolidin-4-one Analogues as Potential EGFRK Inhibitors in Lung Cancer Treatment.

Purpose: Cancer is the second leading cause of death globally and is responsible for an estimated 9.6 million deaths in 2018. Globally, about 1 in 6 deaths is due to cancer and the chemotherapeutic drugs available have high toxicity and have reported side effects hence, there is a need for the synthesis of novel drugs in the treatment of cancer.

Design, synthesis and molecular docking study of novel triazole-quinazolinone hybrids as antimalarial and antitubercular agents.

In a quest to discover new antimalarial and antitubercular drugs, we have designed and synthesized a series of novel triazole-quinazolinone hybrids. The in vitro screening of the triazole-quinazolinone hybrid entities against the plasmodium species P. falciparum offered potent antimalarial molecules 6c, 6d, 6f, 6g, 6j & 6k owing comparable activity to the reference drugs.

Nutritional status of Zombi pea (Vigna vexillata) as influenced by plant density and deblossoming.

Feeding billions, a healthy and nutritious diet in the era of climate change is a major challenge before plant breeders, geneticists and agronomist. In this context, the continuous search for adaptive and nutritious crops could be a better alternative to combat the problems of hunger and malnutrition. The zombi pea, a nutritious and underutilized leguminous vegetable, is one of such better alternatives to feed billions a nutritious food besides being a potential gene source for breeding abiotic stress resistant varieties.

High-throughput computational screening for identification of potential hits against bacterial Acriflavine resistance protein B (AcrB) efflux pump.

Antibiotic resistance is a pressing global health challenge, driven in part by the remarkable efflux capabilities of efflux pump in AcrB (Acriflavine Resistance Protein B) protein in Gram-negative bacteria. In this study, a multi-approached computational screening strategy encompassing molecular docking, absorption, distribution, metabolism, excretion and toxicity (ADMET) analysis, druglikeness assessment, molecular dynamics simulations and density functional theory studies was employed to identify novel hits capable of acting against AcrB-mediated antibiotic resistance. Ligand library was acquired from the COCONUT database.

Exploring binding potential of two new indole alkaloids from against third and fourth generation EGFR: druglikeness, ADMET, docking, DFT, molecular dynamics simulation, and MMGBSA study.

This study investigates the anti-cancer potential of recently discovered indole alkaloids from against third and fourth-generation EGFR mutations using computational tools. Through ADMET profiling, druglikeness prediction, docking, and simulations, we assessed their pharmacokinetics, binding interactions, and stability. Promising druglikeness and binding affinity were observed, particularly for (±)-19-O-butylangustoline, which demonstrated stronger binding against both EGFR mutants.

and exploration of newly synthesized triazolyl- isonicotinohydrazides as potent antitubercular agents.

In the present study, we have reported the synthesis of novel isoniazid-triazole derivatives (), the click chemistry approach. The synthesized isoniazid-triazole derivatives have potent antitubercular activity against the (MTB) H37Rv strain. Among these compounds, , , , , , , , , and were found to be the most active ones with a MIC value of 0.

Design, synthesis and antitubercular assessment of 1, 2, 3-triazole incorporated thiazolylcarboxylate derivatives.

A library of 1, 2, 3-triazole incorporated thiazolylcarboxylate derivatives (7a-q) and (8a-j) were synthesized and evaluated for their in-vitro antitubercular activity against Mycobacterium tuberculosis H37Rv. The two compounds 7h and 8h have displayed excellent antitubercular activity with MIC values of 3.12 and 1.

Evaluation of curcumin-loaded chitosan nanoparticles for wound healing activity.

Background And Purpose: Wound healing is a biological process that can be difficult to manage clinically. In skin wound healing, the interaction of many cells, growth factors, and cytokines reveals an outstanding biological function mechanism. Wound healing that occurs naturally restores tissue integrity, however, it is usually restricted to wound repair.

Exploring α, β-unsaturated carbonyl compounds against bacterial efflux pumps computational approach.

Antibiotic resistance has become a pressing global health crisis, with bacterial infections increasingly difficult to treat due to the emergence of multidrug resistance. This study aims to identify potential chalcone molecules that interact with two key multidrug efflux pumps, AcrB and EmrD, of Escherichia coli, using advanced computational tools. ADMET (absorption, distribution, metabolism, excretion, and toxicity), drug-likeness prediction, molecular docking, and molecular dynamics simulation analyses were conducted on a ligand library comprising 100 chalcone compounds against AcrB (PDB: 4DX5) and EmrD (PDB: 2GFP).

Identification of potential biogenic chalcones against antibiotic resistant efflux pump (AcrB) via computational study.

The cases of bacterial multidrug resistance are increasing every year and becoming a serious concern for human health. Multidrug efflux pumps are key players in the formation of antibiotic resistance, which transfer out a broad spectrum of drugs from the cell and convey resistance to the host. Efflux pumps have significantly reduced the efficacy of the previously available antibiotic armory, thereby increasing the frequency of therapeutic failures.

Exploring the Age-Old Question: What Is the Predictive Value of EEG for Future Epilepsy in Children With Complex Febrile Seizures?

Children with complex febrile seizures (CFS) have increased risk for the development of epilepsy, but varying prognostic value has been ascribed to abnormal post-CFS electroencephalograms (EEGs). We conducted a retrospective cohort study of 621 children with post-CFS EEGs and identified an association between CFS and midline-vertex discharges, which were present in 52% of the 56 EEGs with interictal epileptiform discharges. Among patients who completed at least 1 year of follow-up, 24.

Exploration of limonoids for their broad spectrum antiviral potential DFT, molecular docking and molecular dynamics simulation approach.

Limonoids serve as vital secondary metabolites. Citrus limonoids show a wide range of pharmacological potential. As a result of which limonoids from citrus are of considerable research interest.

Exploring biogenic chalcones as DprE1 inhibitors for antitubercular activity via in silico approach.

Cases of drug-resistant tuberculosis (TB) have increased worldwide in the last few years, and it is a major threat to global TB control strategies and the human population. Mycobacterium tuberculosis is a common causative agent responsible for increasing cases of TB and as reported by WHO, approximately, 1.5 million death occurred from TB in 2020.

Updates in the management of pediatric dyslipidemia.

Purpose Of Review: Pediatric dyslipidemias increase the risk of atherosclerosis and clinical cardiovascular disease and are the leading cause of morbidity and mortality. Lifestyle modifications and pharmacotherapies have measurably improved abnormal lipids and reduced cardiovascular events. The review will focus on current standards of care and investigative medications with the potential to improve cardiovascular health in children and adults.

Computational Exploration of Anti-cancer Potential of Flavonoids against Cyclin-Dependent Kinase 8: An Molecular Docking and Dynamic Approach.

Over the centuries, cancer has been considered one of the significant health threats. It holds the position in the list of deadliest diseases over the globe. In women, breast cancer is the most common among many cancers and is the second most common cancer all over the world, while lung cancer is the first.

Exploration of bioactive molecules from and as an immunity modulator molecular docking and molecular dynamics simulation study.

and are the widely used plant in Ayurvedic systems of medicine. Both plants are well known for their immunomodulatory activity. In the current study, in silico exploration was performed using advanced computational techniques such as molecular docking and molecular dynamics simulation approach.

Corrigendum: Grain nutrients variability in pigeonpea genebank collection and its potential for promoting nutritional security in dryland ecologies.

[This corrects the article DOI: 10.3389/fpls.2022.

Syntheses, Molecular Docking and Biological Evaluation of 2-(2- hydrazinyl)thiazoles as Potential Antioxidant, Anti-Inflammatory and Significant Anticancer Agents.

Background: Recently, researchers have worked on the development of new methods for the synthesis of bioactive heterocycles using polyethylene glycol as a green solvent. In this context, we report the synthesized 2-(2-hydrazinyl) thiazoles for their in vitro antioxidant, in vitro anti-inflammatory and in vitro anti-cancer activities.

Objective: The objective of the study was to develop novel antioxidant, anti-inflammatory and anti-cancer drugs.

Grain Nutrients Variability in Pigeonpea Genebank Collection and Its Potential for Promoting Nutritional Security in Dryland Ecologies.

Pigeonpea, a climate-resilient legume, is nutritionally rich and of great value in Asia, Africa, and Caribbean regions to alleviate malnutrition. Assessing the grain nutrient variability in genebank collections can identify potential sources for biofortification. This study aimed to assess the genetic variability for grain nutrients in a set of 600 pigeonpea germplasms conserved at the RS Paroda Genebank, ICRISAT, India.

Water quality index modeling using random forest and improved SMO algorithm for support vector machine in Saf-Saf river basin.

The water quality index is one of the prominent general indicators to assess and classify surface water quality, which plays a critical role in river water resources practices. This research constructs a hybrid artificial intelligence model namely sequential minimal optimization-support vector machine (SMO-SVM) along with random forest (RF) as a benchmark model for predicting water quality values at the Wadi Saf-Saf river basin in Algeria. The fifteen input water quality datasets such as biochemical oxygen demand (BOD), oxygen saturation (OS), the potential for hydrogen (pH), chemical oxygen demand (COD), chloride (Cl), dissolved oxygen (DO), electrical conductivity (EC), total dissolved solids (TDS), nitrate-nitrogen (NO-N), nitrite-nitrogen (NO-N), phosphate (PO), ammonium (NH), temperature (T), turbidity (NTU), and suspended solids (SS) were employed for constructing the predictive models.

Design and investigation of novel Maraviroc analogues as dual inhibition of CCR-5/SARS-CoV-2 M.

A sudden increase in life-threatening COVID-19 infections around the world inflicts global crisis and emotional trauma. In current study two druggable targets, namely SARS-COV-2 M and CCR-5 were selected due to their significant nature in the viral life cycle and cytokine molecular storm respectively. The systematic drug repurposing strategy has been utilized to recognize inhibitory mechanism through extensive investigation of novel Maraviroc analogues as promising inhibitors against SARS-CoV-2 M and CCR-5.