A Computational Approach to Elucidate the Interactions of Chemicals From Artemisia annua Targeted Toward SARS-CoV-2 Main Protease Inhibition for COVID-19 Treatment.

The inhibitory potential of Artemisia annua, a well-known antimalarial herb, against several viruses, including the coronavirus, is increasingly gaining recognition. The plant extract has shown significant activity against both the Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) and the novel SARS-CoV-2 that is currently ravaging the world. It is therefore necessary to evaluate individual chemicals of the plant for inhibitory potential against SARS-CoV-2 for the purpose of designing drugs for the treatment of COVID-19. In this study, we employed computational techniques comprising molecular docking, binding free energy calculations, pharmacophore modeling, induced-fit docking, molecular dynamics simulation, and ADMET predictions to identify potential inhibitors of the SARS-CoV-2 main protease (Mpro) from 168 bioactive compounds of Artemisia annua. Rhamnocitrin, isokaempferide, kaempferol, quercimeritrin, apigenin, penduletin, isoquercitrin, astragalin, luteolin-7-glucoside, and isorhamnetin were ranked the highest, with docking scores ranging from -7.84 to -7.15 kcal/mol compared with the -6.59 kcal/mol demonstrated by the standard ligand. Rhamnocitrin, Isokaempferide, and kaempferol, like the standard ligand, interacted with important active site amino acid residues like HIS 41, CYS 145, ASN 142, and GLU 166, among others. Rhamnocitrin demonstrated good stability in the active site of the protein as there were no significant conformational changes during the simulation process. These compounds also possess acceptable druglike properties and a good safety profile. Hence, they could be considered for experimental studies and further development of drugs against COVID-19.

Spices Mixture Containing Garlic, Ginger and Nutmeg Has Protective Effects on the Kidneys and Liver of Cadmium Exposed Rats.

PURPOSE: To determine the potential protective effect of spice mixture containing garlic, ginger and nutmeg on the liver and kidney of cadmium exposed rats. METHODS: Male albino rats (n=30) weighing 120 - 180 g, grouped into five (1-5) of 6 rats/group were studied. Group 1 (NC) rats were administered distilled water (1 ml) orally for 4 weeks and served as the negative control while group 2 (PC) rats were administered low dose (LD) cadmium (25 mg/kg body weight) orally for 4 weeks and served as positive control. Group 3 (TBE) rats were treated with spice mixture (SM); 300 mg/kg body weight orally for 2 weeks and then administered LD cadmium for 4 weeks. While group 4 (CET) rats were concurrently administered LD cadmium and SM for 4 weeks, group 5 (TAE) rats were administered LD cadmium for 4 weeks and then treated with SM for 2 weeks. The whole experiment lasted for 42 day after which the animals were sacrificed and blood collected for determination of biochemical parameters using standard procedures and techniques. RESULTS: Exposure to Cd produced greater increases in the liver function parameters. However treatment with SM significantly (p<0.05) reduced ALT in animals treated after exposure, AST and bilirubin in those treated before exposure and significant (p<0.05) increased serum albumin in animals treated before exposure to Cd. The altered renal function parameters and total serum cholesterol were restored to near normal values following treatment with SM. CONCLUSION: It may be concluded that concurrent intake of garlic, ginger and nutmeg at culinary dose in the diet has both therapeutic and prophylactic effect at mitigating Cd toxicity and reaffirms the safely of spices combinations as being currently practiced.

Anaemia in Relation to Body Mass Index (BMI) and Socio-Demographic Characteristics in Adult Nigerians in Ebonyi State.

INTRODUCTION: Anaemia, a multifactorial health challenge has been found to affect every stage of human development with negative health impacts. Providing information on the factors associated with Anaemia will help in formulating mitigating strategies against this important public health problem. OBJECTIVE: To determine the prevalence of Anaemia and its relationship with body mass index (BMI) and sociodemographic characteristics in adult Nigerians in Ebonyi State, South-eastern Nigeria. MATERIALS AND METHODS: Adults (n=428) aged ≥ 18 y (mean=38.4±13.7 y) randomly selected from 130 political wards from the 13 Local Government Areas of the state were studied. Sociodemographic data was collected with questionnaire while blood samples were collected for hemoglobin determination using colorimetric cyanmethemoglobin method. Data was analysed using statistical package for social sciences (SPSS(®) for Windows(®) ver. 16). RESULTS: In general, 21.7% of the subjects were anemic with Anaemia prevalence of 9.9%, 15.8% and 39.8% in male, non-pregnant and pregnant female, respectively. About four percent (3.7%) of the subjects were underweight, while 37.6% had excess weight with hemoglobin concentration having no relationship with BMI and sociodemographic parameters. CONCLUSION: It may be conclude that the Anaemia in adult Nigerians in Ebonyi State has no definite relationship with BMI and sociodemographic characteristics studied. Further studies are needed to document other factors that may be associated with Anaemia among adults in the State.

Plasma cadmium and zinc and their interrelationship in adult Nigerians: potential health implications.

Zinc (an essential trace element) and cadmium (a ubiquitous environmental pollutant with acclaimed toxicity) have been found to occur together in nature, with reported antagonism between the two elements. The present study aimed at determination of plasma levels of zinc (Zn) and cadmium (Cd) and their interrelationship in adult Nigerians. The series comprised adults (n=443) aged ≥18 yrs (mean ± SD 38.4±13.7 yrs), consisting of 117 males, 184 non-pregnant and 140 pregnant females. Sociodemographic data were collected by questionnaire while anthropometrics were determined using standard methods. Plasma Cd and Zn were determined by using an atomic absorption spectrophotometer. The mean plasma zinc and cadmium were 94.7±18.1 µg/dl and 0.150±0.548 µg/dl, respectively. Age, sex, pregnancy, and parity had no effect on either plasma Zn or Cd. Although educational level had no effect on plasma Zn, it had a significant effect on Cd; subjects possessing either secondary or tertiary education had significantly lower plasma Cd than subjects without formal education. Moreover, there seemed to be an inverse relationship between Cd and Zn, but this was not statistically significant (r=-0.089; p=0.061). Although plasma Zn was not related to BMI (r=0.037; p=0.432), Cd was significantly negatively correlated with BMI (r=-0.124; p=0.009). It may be concluded that adult Nigerians in Ebonyi State have elevated plasma levels of Cd, with apparent impact on the levels of plasma Zn. This has important public health implications considering the essential roles of Zn in the protection of Cd mediated adverse health effects. While food diversification is recommended to improve plasma Zn, efforts should be made to reduce exposure to Cd to mitigate partially its possible adverse effects.

Cadmium-induced toxicity and the hepatoprotective potentials of aqueous extract of jessiaea nervosa leaf.

PURPOSE: Hepatoprotective potentials of Jussiaea nervosa leaf extract against Cadmium-induced hepatotoxicity were investigated. METHODS: Forty albino rats were randomly assigned into groups A-G with 4 rats in each of the groups A-F. Group A served as control and were given feed only while rats in groups B-F were orally exposed to varying concentrations of cadmium for six weeks. Effects of cadmium were most significant at 12 mg/Kg body weight (BW), and this dose was used for subsequent test involving oral administration of Jussiaea nervosa leaf extracts. In this segment, group G (n= 16) was sub-divided into four: G1-G4, with each sub-group containing four rats. Rats in sub-group G1 were given cadmium and feed only and served as positive control. Rats in sub-groups G2, G3, and G4 were given cadmium and 20, 50 and 100g/kg BW of Jussiaea nervosa extract, respectively, for six weeks. Blood and liver were analysed using standard laboratory techniques and methods. RESULTS: Liver function parameters (ALT, AST, ALP, bilirubin) were significantly (p<0.05) elevated in exposed rats in comparison to the controls, except for total protein and albumin, which were significantly decreased. Histopathological assessment reveals renal pathology in exposed rats in sharp contrast with the controls. Jussiaea nervosa extract however lowered the values of liver function parameters with 100mg/Kg BW dose producing the highest ameliorative effects. Similarly, the serum albumin and total protein significantly (p<0.05) improved with normal liver architecture. CONCLUSION: The results show the hepatoprotective potentials of Jussiaea nervosa extract against Cd toxicity.