Outbreaks of Monkeypox(mpox)in over 100 non-endemic countries in 2022 represented a serious global health concern.Once a neglected disease,mpox has become a global public health issue.A42R profilinlike protein from mp...Outbreaks of Monkeypox(mpox)in over 100 non-endemic countries in 2022 represented a serious global health concern.Once a neglected disease,mpox has become a global public health issue.A42R profilinlike protein from mpox(PDB ID:4QWO)represents a potential new lead for drug development and may interact with various synthetic and natural compounds.In this report,the interaction of A42R profilinlike protein with six phytochemicals found in the medicinal plant Ficus religiosa(abundant in India)was examined.Based on the predicted and compared protein–ligand binding energies,biological properties,IC_(50) values and toxicity,two compounds,kaempferol(C-1)and piperine(C-4),were selected.ADMET characteristics and quantitative structure–activity relationship(QSAR)of these two compounds were determined,and molecular dynamics(MD)simulations were performed.In silico examination of the kaempferol(C-1)and piperine(C-4)interactions with A42R profilin-like protein gave best-pose ligandbinding energies of–6.98 and–5.57 kcal/mol,respectively.The predicted IC_(50) of C-1 was 7.63 lM and 82 lM for C-4.Toxicity data indicated that kaempferol and piperine are non-mutagenic,and the QSAR data revealed that piperlongumine(5.92)and piperine(5.25)had higher log P values than the other compounds examined.MD simulations of A42R profilin-like protein in complex with C-1 and C-4 were performed to examine the stability of the ligand–protein interactions.As/C and C-4 showed the highest affinity and activities,they may be suitable lead candidates for developing mpox therapeutic drugs.This study should facilitate discovering and synthesizing innovative therapeutics to address other infectious diseases.展开更多
Cholera is a secretory diarrhoeal disease caused by infection with Vibrio cholerae, primarily the V. cholerae O1 El Tor biotype. There are approximately 2.9 million cases in 69 endemic countries annually, resulting in...Cholera is a secretory diarrhoeal disease caused by infection with Vibrio cholerae, primarily the V. cholerae O1 El Tor biotype. There are approximately 2.9 million cases in 69 endemic countries annually, resulting in 95 000 deaths. Cholera is associated with poor infrastructure and lack of access to sanitation and clean drinking water. The current cholera epidemic in Yemen, linked to spread of V. cholerae O1 (Ogawa serotype), is associated with the ongoing war. This has devastated infrastructure and health services. The World Health Organization had estimated that 172 286 suspected cases arose between 27th April and 19th June 2017, including 1170 deaths. While there are three oral cholera vaccines prequalified by the World Health Organization, there are issues surrounding vaccination campaigns in conflict situations, exacerbated by external factors such as a global vaccine shortage. Major movements of people complicates surveillance and administration of double doses of vaccines. Cholera therapy mainly depends on rehydration, with use of antibiotics in more severe infections. Concerns have arisen about the rise of antibiotic resistance in cholera, due to mobile genetic elements. In this review, we give an overview of cholera epidemiology, virulence, antibiotic resistance, therapy and vaccines, in the light of the ongoing epidemic in Yemen.展开更多
We conducted a systematic review andmeta-analysis to determine the prevalence of depression among elderly people living with HIV.We searched electronic databases and included 12 observational studies that reported on ...We conducted a systematic review andmeta-analysis to determine the prevalence of depression among elderly people living with HIV.We searched electronic databases and included 12 observational studies that reported on depression among people who were 50 years of age or older and had HIV.The studies were mostly hospital-based and fromWestern and African countries.They included a total of 5868 older peoplewith HIV,ofwhom 1667 had depression.Pooled prevalence of depression was 28%with heterogeneity of 95.2%.Prevalence ranged from 14.5%in the Netherlands to 42.4%in South Africa.Although therewas asymmetry in the funnel plot,the Egger’s test showed no significant publication bias.Our meta-analysis found a high burden of depression among older people with HIV.Comprehensive health services addressing psychosocial needs and interventions to prevent and treat depression are needed,especially in community settings.Healthcare providers and policymakers should address the prevalence of depression in such communities.展开更多
文摘Outbreaks of Monkeypox(mpox)in over 100 non-endemic countries in 2022 represented a serious global health concern.Once a neglected disease,mpox has become a global public health issue.A42R profilinlike protein from mpox(PDB ID:4QWO)represents a potential new lead for drug development and may interact with various synthetic and natural compounds.In this report,the interaction of A42R profilinlike protein with six phytochemicals found in the medicinal plant Ficus religiosa(abundant in India)was examined.Based on the predicted and compared protein–ligand binding energies,biological properties,IC_(50) values and toxicity,two compounds,kaempferol(C-1)and piperine(C-4),were selected.ADMET characteristics and quantitative structure–activity relationship(QSAR)of these two compounds were determined,and molecular dynamics(MD)simulations were performed.In silico examination of the kaempferol(C-1)and piperine(C-4)interactions with A42R profilin-like protein gave best-pose ligandbinding energies of–6.98 and–5.57 kcal/mol,respectively.The predicted IC_(50) of C-1 was 7.63 lM and 82 lM for C-4.Toxicity data indicated that kaempferol and piperine are non-mutagenic,and the QSAR data revealed that piperlongumine(5.92)and piperine(5.25)had higher log P values than the other compounds examined.MD simulations of A42R profilin-like protein in complex with C-1 and C-4 were performed to examine the stability of the ligand–protein interactions.As/C and C-4 showed the highest affinity and activities,they may be suitable lead candidates for developing mpox therapeutic drugs.This study should facilitate discovering and synthesizing innovative therapeutics to address other infectious diseases.
文摘Cholera is a secretory diarrhoeal disease caused by infection with Vibrio cholerae, primarily the V. cholerae O1 El Tor biotype. There are approximately 2.9 million cases in 69 endemic countries annually, resulting in 95 000 deaths. Cholera is associated with poor infrastructure and lack of access to sanitation and clean drinking water. The current cholera epidemic in Yemen, linked to spread of V. cholerae O1 (Ogawa serotype), is associated with the ongoing war. This has devastated infrastructure and health services. The World Health Organization had estimated that 172 286 suspected cases arose between 27th April and 19th June 2017, including 1170 deaths. While there are three oral cholera vaccines prequalified by the World Health Organization, there are issues surrounding vaccination campaigns in conflict situations, exacerbated by external factors such as a global vaccine shortage. Major movements of people complicates surveillance and administration of double doses of vaccines. Cholera therapy mainly depends on rehydration, with use of antibiotics in more severe infections. Concerns have arisen about the rise of antibiotic resistance in cholera, due to mobile genetic elements. In this review, we give an overview of cholera epidemiology, virulence, antibiotic resistance, therapy and vaccines, in the light of the ongoing epidemic in Yemen.
文摘We conducted a systematic review andmeta-analysis to determine the prevalence of depression among elderly people living with HIV.We searched electronic databases and included 12 observational studies that reported on depression among people who were 50 years of age or older and had HIV.The studies were mostly hospital-based and fromWestern and African countries.They included a total of 5868 older peoplewith HIV,ofwhom 1667 had depression.Pooled prevalence of depression was 28%with heterogeneity of 95.2%.Prevalence ranged from 14.5%in the Netherlands to 42.4%in South Africa.Although therewas asymmetry in the funnel plot,the Egger’s test showed no significant publication bias.Our meta-analysis found a high burden of depression among older people with HIV.Comprehensive health services addressing psychosocial needs and interventions to prevent and treat depression are needed,especially in community settings.Healthcare providers and policymakers should address the prevalence of depression in such communities.
