Correction: Comparison of DNA extraction methods for COVID-19 host genetics studies.

[This corrects the article DOI: 10.1371/journal.pone.

Synthesis and Evaluation of Fluorinated Piperazine-Hydroxyethylamine Analogues as Potential Antiplasmodial Candidates.

In this manuscript, twenty-one novel fluorinated piperazine-hydroxyethylamine analogues were synthesized and tested against Plasmodium falciparum (Pf). Among tested compounds, two 13 g and 14 g exhibited promising inhibitory activity on Pf3D7 with IC values of 0.28 and 0.

Functionalization of cellulose nanocrystals with a potent antimalarial compound: Synthesis, characterization, and biological studies.

Cellulosic materials, such as cellulose nanocrystals (CNCs), are biocompatible, biodegradable and have unique and fascinating biomedical applications. Calxinin (CXN), a potent multistage antimalarial compound was functionalised with CNCs to improve biocompatibility and enhance the bioactivity of the resulting CNC-CXN nano-conjugate. Elemental analysis, powder X-ray, SEM, AFM, Infrared, and solid-state NMR spectroscopic techniques confirmed the composition of novel CNC-CXN nano-conjugate.

Rehabilitation Strategies for Post-fasciotomy Recovery in Acute Spreading Cellulitis: A Case Report.

Cellulitis is a skin condition that affects both the dermis and the subcutaneous fat. Acute compartment syndrome has been associated with streptococcal infection. The present case highlights the role of physiotherapy in rehabilitating a patient suffering from compartment syndrome due to cellulitis.

Physiotherapy Rehabilitation of Scapholunate Ligament Instability Following Ganglion Cyst in a Recreational Basketball Player: A Case Report.

Ganglion cysts are prevalent benign soft tissue tumors, commonly occurring on the dorsal wrist and often associated with underlying joint structures like the scapholunate ligament (SLL), a critical stabilizer of the wrist. SLL instability, frequently resulting from acute trauma or repetitive stress, can significantly impair wrist function, causing pain, reduced range of motion, and decreased grip strength. This case report details the conservative management of a 25-year-old recreational basketball player who presented with SLL instability and a dorsal ganglion cyst following two separate wrist injuries.

Metal-Free Diversification of Unprotected Amino Acid Drugs via Tandem Reaction of 2-(2-oxo-2-aryl/alkylethyl)benzonitrile in Aqueous Medium.

Herein, we report an efficient strategy towards the synthesis of amino acid substituted isoquinoline derivatives via reaction of unprotected amino acid/amino acid ester/amino acid based drugs with 2-(2-oxo-2-aryl/alkylethyl)benzonitrile under metal-free conditions. The developed protocol is highly simple and shows functional group tolerance to provide corresponding novel amino acid substituted isoquinolines in aqueous medium. The applicability of the reaction is an easier modification of well-known drugs and successfully extended to gram-scale synthesis.

Evaluation of Spermatogenic Activity of Polyherbal Compound and its Protective Effect Against Nicotine-Induced Testicular Degeneration in Sprague-Dawley Rats.

Background: The ancient science of life known as Ayurveda uses a variety of formulations or herbal compounds to treat a wide range of illnesses. Male infertility accounts for half of all infertility worldwide, and numerous etiological variables play a role. A pharmacologically active tobacco component called nicotine has a negative impact on male fertility and the reproductive system.

Identification of novel peptide inhibitors of dihydrofolate reductase (DHFR): molecular docking and MD simulation studies.

The presence of drug-resistant variants of Plasmodium parasites within the population has presented a substantial obstacle to the eradication of Malaria. As a result, numerous research groups have directed their efforts towards creating new medication candidates that specifically target parasites. In this study, our main objective was to identify tri-peptide inhibitors for Dihydrofolate Reductase (DHFR) with the aim of finding a new peptide that exhibits superior binding properties compared to the current inhibitor, WR99210.

Discovery of low-molecular-weight phenylalanine derivatives as novel HIV capsid modulators with improved antiretroviral activity and metabolic stability.

The HIV capsid (CA) protein is a promising target for anti-AIDS treatment due to its critical involvement in viral replication. Herein, we utilized the well-documented CA inhibitor PF74 as our lead compound and designed a series of low-molecular-weight phenylalanine derivatives. Among them, compound 7t exhibited remarkable antiviral activity with a high selection index (EC = 0.

Phenotypic screening reveals a highly selective phthalimide-based compound with antileishmanial activity.

Pharmacophores such as hydroxyethylamine (HEA) and phthalimide (PHT) have been identified as potential synthons for the development of compounds against various parasitic infections. In order to further advance our progress, we conducted an experiment utilising a collection of PHT and HEA derivatives through phenotypic screening against a diverse set of protist parasites. This approach led to the identification of a number of compounds that exhibited significant effects on the survival of Entamoeba histolytica, Trypanosoma brucei, and multiple life-cycle stages of Leishmania spp.

Structural Features of Carbon Dots and Their Agricultural Potential.

Carbon dots (CDs) have drawn attention due to their enticing physical, chemical, and surface properties. Besides, good conductivity, low toxicity, environmental friendliness, simple synthetic routes, and comparable optical properties are advantageous features of CDs. Further, recently, CDs have been explored for biological systems, including plants.

Comparison of DNA extraction methods for COVID-19 host genetics studies.

The coronavirus disease 2019 (COVID-19) pandemic has resulted in global shortages in supplies for diagnostic tests, especially in the developing world. Risk factors for COVID-19 severity include pre-existing comorbidities, older age and male sex, but other variables are likely play a role in disease outcome. There is indeed increasing evidence that supports the role of host genetics in the predisposition to COVID-19 outcomes.

A Short Review on Current Status and Obstacles in the Sustainable Production of Biohydrogen from Microalgal Species.

Biohydrogen is an economical fuel which has enormous promise as an alternative energy source. The synthesis of biohydrogen can be done more affordably and sustainably using microalgae. For the generation of biohydrogen and the treatment of wastewater, microalgae derived from effluent have been showing very impressive outcomes.

In vitro and in vivo antiplasmodial evaluation of sugar-modified nucleoside analogues.

Drug-resistant Plasmodium falciparum (Pf) infections are a major burden on the population and the healthcare system. The establishment of Pf resistance to most existing antimalarial therapies has complicated the problem, and the emergence of resistance to artemisinin derivatives is even more concerning. It is increasingly difficult to cure malaria patients due to the limited availability of effective antimalarial drugs, resulting in an urgent need for more efficacious and affordable treatments to eradicate this disease.

Translational and structural vaccinomics approach to design a multi-epitope vaccine against NOL4 autologous antigen of small cell lung cancer.

Small cell lung cancer (SCLC) is one of the most common cancers and it is the sixth common cause for cancer-related deaths. The high plasticity and metastasis have been a major challenge for humanity to treat the disease. Hence, a vaccine for SCLC has become an urgent need of the hour due to public health concern.

Escaping from Flatland: Multiparameter Optimization Leads to the Discovery of Novel Tetrahydropyrido[4,3-]pyrimidine Derivatives as Human Immunodeficiency Virus-1 Non-nucleoside Reverse Transcriptase Inhibitors with Superior Antiviral Activities against Non-nucleoside Reverse Transcriptase Inhibitor-Resistant Variants and Favorable Drug-like Profiles.

In the current landscape of antiretroviral options, there remains an urgent need for novel non-nucleoside reverse transcriptase inhibitors (NNRTIs) with improved resistance profiles and safety properties. Herein, a series of novel tetrahydropyrido[4,3-]pyrimidine derivatives were discovered utilizing the "escape from flatland" strategy. The most potent inhibitor was endowed with broad-spectrum antiviral activity and improved resistance profiles against NNRTI-resistant variants compared to efavirenz and etravirine.

Biological activity of 1,2,3-triazole-2-amino-1,4-naphthoquinone derivatives and their evaluation as therapeutic strategy for malaria control.

Malaria can be caused by several Plasmodium species and the development of an effective vaccine is challenging. Currently, the most effective tool to control the disease is the administration of specific chemotherapy; however, resistance to the frontline antimalarials is one of the major problems in malaria control and thus the development of new drugs becomes urgent. The study presented here sought to evaluate the antimalarial activities of compounds derived from 2-amino-1,4-naphthoquinones containing 1,2,3-triazole using in vivo and in vitro models.

Exploring state-of-the-art advances in targeted nanomedicines for managing acute and chronic inflammatory lung diseases.

Diagnosis and treatment of lung diseases pose serious challenges. Currently, diagnostic as well as therapeutic methods show poor efficacy toward drug-resistant bacterial infections, while chemotherapy causes toxicity and nonspecific delivery of drugs. Advanced treatment methods that cure lung-related diseases, by enabling drug bioavailability via nasal passages during mucosal formation, which interferes with drug penetration to targeted sites, are in demand.

Quest for selective MMP9 inhibitors: a computational approach.

Matrix Metalloproteinases-9 (MMP-9) is one of the important targets that play a vital role in various diseases such as cancer, Alzheimer's, arthritis, etc. Traditionally, MMP-9 inhibitors have been unable to achieve selectivity to get around this target; thereby, novel mechanisms such as inhibition of activated MMP-9 zymogen (pro-MMP-9) have been discovered. The JNJ0966 was one of the few compounds that attained the requisite selectivity by inhibiting the activation of MMP-9 zymogen (pro-MMP-9).

Recent updates on the biological efficacy of approved drugs and potent synthetic compounds against SARS-CoV-2.

The novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), also known as COVID-19, has triggered a global pandemic that has prompted severe public health concerns. Researchers worldwide are continuously trying to find options that could be effective against COVID-19. The main focus of research during the initial phase of the pandemic was to use the already approved drugs as supportive care, and efforts were made to find new therapeutic options.

Natural Metabolite Ursolic Acid as an Inhibitor of Dormancy Regulator DosR of : Evidence from Molecular Docking, Molecular Dynamics Simulation and Free Energy Analysis.

Background: DosR is a transcriptional regulator of Mycobacterium tuberculosis (MTB), governing the expression of a set of nearly 50 genes that is often referred to as 'dormancy regulon'. The inhibition of DosR expression by an appropriate inhibitor may be a crucial step against MTB.

Objective: We targeted the DosR with natural metabolites, ursolic acid (UA) and carvacrol (CV), using in silico approaches.