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SARS-CoV-2 has infected more than 105 million people worldwide. During this pandemic, researchers and clinicians have been working to understand the molecular mechanisms that underpin viral pathogenesis by studying viral–host interactions. Now, with the global rollout of various COVID-19 vaccines—based on the neutralization of the spike protein using different technologies—viral immunology and cell-based immunity are being investigated. Researchers are also studying how various SARS-CoV-2 genetic mutations will impact the efficacy of these COVID-19 vaccines. At the same time, various antiviral drugs have been identified or repurposed that have potential as anti-SARS-CoV-2 treatments. BRICS (Brazil, Russia, India, China, and South Africa) is the acronym used to associate five major emerging national economies. The BRICS countries are known for their significant influence on regional affairs, including being leaders in scientific and clinical research and innovation. This Special Issue includes researchers from BRICS countries, in particular South Africa, involved in the study of SARS-CoV-2 and COVID-19. Original articles, as well as new perspectives or reviews on the matter, were welcomed. Research in the fields of vaccine studies, pathogenesis, genetic mutations, viral immunology, and antiviral drugs were especially encouraged.

SARS-CoV-2 --- E484K --- variant of Interest --- genomic epidemiology --- Brazil --- immunoassay --- SARS-CoV-2 nucleocapsid protein --- epitope coverage --- quantitative antibody binding --- protein microarray --- SARS-CoV-2 antibodies --- humoral response --- COVID-19 --- nanotechnology --- detection --- treatment --- breakthrough --- VRDL --- Delta and Delta plus variant --- India --- vaccine --- dental aerosol-generating procedures --- extra-oral suction --- high-volume evacuation --- low-volume saliva ejector --- splatter --- aerosol --- convalescent plasma --- COVID-19 and nanotechnology --- nanomedicine in South Africa --- bioinformatics and vaccine development --- vaccine development in South Africa --- models --- different settings --- intervention strategies --- NSW --- coronavirus disease 2019 (COVID-19) --- severe acute respiratory syndrome coronavirus (SARS-CoV-2) --- neutralizing antibody (NAb) --- diabetes --- corticosteroids --- reverse zoonosis --- wildlife --- COVID-19 testing --- hospital mortality --- intubation

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This book collects contributions published in the Special Issue “From a Molecule to a Drug: Chemical Features Enhancing Pharmacological Potential” and dealing with successful stories of drug improvement or design using classic protocols, quantum mechanical mechanistic investigation, or hybrid approaches such as QM/MM or QM/ML (machine learning). In the last two decades, computer-aided modeling has strongly supported scientists’ intuition to design functional molecules. High-throughput screening protocols, mainly based on classical mechanics’ atomistic potentials, are largely employed in biology and medicinal chemistry studies with the aim of simulating drug-likeness and bioactivity in terms of efficient binding to the target receptors. The advantages of this approach are quick outcomes, the possibility of repurposing commercially available drugs, consolidated protocols, and the availability of large databases. On the other hand, these studies do not intrinsically provide reactivity information, which requires quantum mechanical methodologies that are only applicable to significantly smaller and simplified systems at present. These latter studies focus on the drug itself, considering the chemical properties related to its structural features and motifs. Overall, such simulations provide necessary insights for a better understanding of the chemistry principles that rule the diseases at the molecular level, as well as possible mechanisms for restoring the physiological equilibrium.

Medicine --- Pharmacology --- SARS-CoV-2 --- benzoic acid derivatives --- gallic acid --- molecular docking --- reactivity parameters --- selenoxide elimination --- one-pot --- imine-enamine --- reaction mechanism --- DFT calculations --- selenium --- anti-inflammatory drugs --- QSAR --- pain management --- cyclooxygenase --- multitarget drug --- cannabinoid --- neuropathic pain --- clopidogrel --- NMR study --- oxone --- peroxymonosulfate --- sodium halide --- thienopyridine --- drug discovery --- precision medicine --- pharmacodynamics --- pharmacokinetics --- coronavirus SARS-CoV-2 --- COVID-19 --- 3-chymotrypsin-like protease --- pyrimidonic pharmaceuticals --- molecular dynamics simulations --- binding free energy --- β-carrageenan --- antioxidant activity --- Box-Behken --- extraction --- Eucheuma gelatinae --- physic-chemistry --- rheology --- quercetin --- quercetin 3-O-glucuronide --- cisplatin --- nephrotoxicity --- cytoprotection --- lithium therapy --- neurocytology --- toxicology --- neuroprotection --- chemoinformatics --- big data --- methadone hydrochloride --- pharmaceutical solutions --- drug compounding --- high performance liquid chromatography --- stability study --- microbiology --- fucoidan --- alginate --- L-selectin --- E-selectin --- MCP-1 --- ICAM-1 --- THP-1 macrophage --- monocyte migration --- protein binding --- breast milk --- M/P ratio --- statistical modeling --- molecular descriptors --- chromatographic descriptors --- affinity chromatography --- anti-ACE --- anti-DPP-IV --- gastrointestinal digestion --- in silico --- molecular dynamics --- paramyosin --- seafood --- target fishing --- n/a

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The use of Information and Communication Technologies (ICT) to deliver psychological services has been emerging as an effective way of increasing individual access to mental health promotion, prevention, and treatment. This Special Issue brings together different contributions focusing on the acceptability and feasibility, (cost-)effectiveness, potentialities, and limitations of ICT-based psychological services for mental health promotion, prevention, and treatment. In each paper, the implications for the implementation of ICT tools in different settings (e.g., primary care services) and for future research are discussed.

Psychology --- information and communication technologies --- outcome monitoring --- therapist feedback --- measurement-based care --- mental health --- pregnancy --- personality --- depression --- adjustment --- social support --- dating apps --- Tinder --- Grindr --- Big Five --- Dark Core --- university students --- nonprofessional caregiver --- prevention --- cognitive --- behavioral --- telephone --- app --- web-based intervention --- be a mom --- randomized controlled trial --- positive mental health --- flourishing --- postpartum period --- usability --- speech interfaces --- cognitive impairment --- ICT --- elderly --- cognitive decline --- emotional disorders --- transdiagnostic --- online group format --- unified protocol --- bariatric surgery --- obesity --- therapeutic alliance --- online interventions --- therapeutic outcomes --- satisfaction with the treatment --- chronic pain --- smartphone app --- telemonitoring --- ecological momentary assessment --- digital information and communication technologies --- psychological counseling --- therapy --- COVID-19 --- coronavirus SARS-CoV-2 --- digital literacy --- web-based interventions --- internalizing symptoms --- depressive symptoms --- adolescents --- primary care --- internet-based intervention --- positive affect --- iUP-A --- i-CBT --- AMTE --- anxiety --- online therapy --- postpartum depression --- cognitive-behavioral therapy --- blended treatment --- Be a Mom --- study protocol --- psychological capital intervention --- online self-learning --- job satisfaction --- turnover intention --- job embeddedness --- cost-effectiveness --- maternal depression --- referral --- recruitment --- mobile intervention --- clinical trials

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• Reference Manager
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This book collects contributions published in the Special Issue “From a Molecule to a Drug: Chemical Features Enhancing Pharmacological Potential” and dealing with successful stories of drug improvement or design using classic protocols, quantum mechanical mechanistic investigation, or hybrid approaches such as QM/MM or QM/ML (machine learning). In the last two decades, computer-aided modeling has strongly supported scientists’ intuition to design functional molecules. High-throughput screening protocols, mainly based on classical mechanics’ atomistic potentials, are largely employed in biology and medicinal chemistry studies with the aim of simulating drug-likeness and bioactivity in terms of efficient binding to the target receptors. The advantages of this approach are quick outcomes, the possibility of repurposing commercially available drugs, consolidated protocols, and the availability of large databases. On the other hand, these studies do not intrinsically provide reactivity information, which requires quantum mechanical methodologies that are only applicable to significantly smaller and simplified systems at present. These latter studies focus on the drug itself, considering the chemical properties related to its structural features and motifs. Overall, such simulations provide necessary insights for a better understanding of the chemistry principles that rule the diseases at the molecular level, as well as possible mechanisms for restoring the physiological equilibrium.

Medicine --- Pharmacology --- SARS-CoV-2 --- benzoic acid derivatives --- gallic acid --- molecular docking --- reactivity parameters --- selenoxide elimination --- one-pot --- imine-enamine --- reaction mechanism --- DFT calculations --- selenium --- anti-inflammatory drugs --- QSAR --- pain management --- cyclooxygenase --- multitarget drug --- cannabinoid --- neuropathic pain --- clopidogrel --- NMR study --- oxone --- peroxymonosulfate --- sodium halide --- thienopyridine --- drug discovery --- precision medicine --- pharmacodynamics --- pharmacokinetics --- coronavirus SARS-CoV-2 --- COVID-19 --- 3-chymotrypsin-like protease --- pyrimidonic pharmaceuticals --- molecular dynamics simulations --- binding free energy --- β-carrageenan --- antioxidant activity --- Box-Behken --- extraction --- Eucheuma gelatinae --- physic-chemistry --- rheology --- quercetin --- quercetin 3-O-glucuronide --- cisplatin --- nephrotoxicity --- cytoprotection --- lithium therapy --- neurocytology --- toxicology --- neuroprotection --- chemoinformatics --- big data --- methadone hydrochloride --- pharmaceutical solutions --- drug compounding --- high performance liquid chromatography --- stability study --- microbiology --- fucoidan --- alginate --- L-selectin --- E-selectin --- MCP-1 --- ICAM-1 --- THP-1 macrophage --- monocyte migration --- protein binding --- breast milk --- M/P ratio --- statistical modeling --- molecular descriptors --- chromatographic descriptors --- affinity chromatography --- anti-ACE --- anti-DPP-IV --- gastrointestinal digestion --- in silico --- molecular dynamics --- paramyosin --- seafood --- target fishing

Choose an application

• Reference Manager
• EndNote
• RefWorks (Direct export to RefWorks)

The use of Information and Communication Technologies (ICT) to deliver psychological services has been emerging as an effective way of increasing individual access to mental health promotion, prevention, and treatment. This Special Issue brings together different contributions focusing on the acceptability and feasibility, (cost-)effectiveness, potentialities, and limitations of ICT-based psychological services for mental health promotion, prevention, and treatment. In each paper, the implications for the implementation of ICT tools in different settings (e.g., primary care services) and for future research are discussed.

information and communication technologies --- outcome monitoring --- therapist feedback --- measurement-based care --- mental health --- pregnancy --- personality --- depression --- adjustment --- social support --- dating apps --- Tinder --- Grindr --- Big Five --- Dark Core --- university students --- nonprofessional caregiver --- prevention --- cognitive --- behavioral --- telephone --- app --- web-based intervention --- be a mom --- randomized controlled trial --- positive mental health --- flourishing --- postpartum period --- usability --- speech interfaces --- cognitive impairment --- ICT --- elderly --- cognitive decline --- emotional disorders --- transdiagnostic --- online group format --- unified protocol --- bariatric surgery --- obesity --- therapeutic alliance --- online interventions --- therapeutic outcomes --- satisfaction with the treatment --- chronic pain --- smartphone app --- telemonitoring --- ecological momentary assessment --- digital information and communication technologies --- psychological counseling --- therapy --- COVID-19 --- coronavirus SARS-CoV-2 --- digital literacy --- web-based interventions --- internalizing symptoms --- depressive symptoms --- adolescents --- primary care --- internet-based intervention --- positive affect --- iUP-A --- i-CBT --- AMTE --- anxiety --- online therapy --- postpartum depression --- cognitive–behavioral therapy --- blended treatment --- Be a Mom --- study protocol --- psychological capital intervention --- online self-learning --- job satisfaction --- turnover intention --- job embeddedness --- cost-effectiveness --- maternal depression --- referral --- recruitment --- mobile intervention --- clinical trials --- n/a --- cognitive-behavioral therapy