Consequences of long-term consumption of water from Nworie River (Owerri, Nigeria) on haematological, hepatic, and renal functions using rat model

The consequences of long term consumption of water from Nworie River (Owerri, Nigeria) on haematological, hepatic, and renal functions using rat model (Wistar albino strain). Twenty-four rats separated into two groups of twelve rats each were kept as test and control for sixty-four days. The test rats were placed on water from Nworie River while those of the control were placed on Eva water (purified Coca-cola bottled water). The rats were sacrificed in two sets: first set was on thirty-second day while the second set was on the sixty-fourth day. Six rats each from each group were sacrificed at each set. The Results obtained revealed that Hb, PCV, WBC, L, N, and ESR were significantly affected (p<0.05) in test rats against the control rats. The functional parameters of liver adequacy; AST, ALT, and ALP were significantly (p<0.05) affected in test rats against those of the control. Also, urea and electrolyte ions (Potassium ion, chloride and bicarbonate) indicating renal sufficiency were significantly (p<0.05) affected in test rats against those of the control. Creatinine, sodium ion, total bilirubin and conjugated bilirubin were not significantly affected (p>0.05) in test rats when compared to those of the control. The induced changes in the parameters investigated in this study have shown that long-term consumption of water from Nworie River has effect on haematological, hepatic, and renal function

Consequences of long-term consumption of water from Nworie River (Owerri, Nigeria) on haematological, hepatic, and renal functions using rat model

The consequences of long term consumption of water from Nworie River (Owerri, Nigeria) on haematological, hepatic, and renal functions using rat model (Wistar albino strain). Twenty-four rats separated into two groups of twelve rats each were kept as test and control for sixty-four days. The test rats were placed on water from Nworie River while those of the control were placed on Eva water (purified Coca-cola bottled water). The rats were sacrificed in two sets: first set was on thirty-second day while the second set was on the sixty-fourth day. Six rats each from each group were sacrificed at each set. The Results obtained revealed that Hb, PCV, WBC, L, N, and ESR were significantly affected (p<0.05) in test rats against the control rats. The functional parameters of liver adequacy; AST, ALT, and ALP were significantly (p<0.05) affected in test rats against those of the control. Also, urea and electrolyte ions (Potassium ion, chloride and bicarbonate) indicating renal sufficiency were significantly (p<0.05) affected in test rats against those of the control. Creatinine, sodium ion, total bilirubin and conjugated bilirubin were not significantly affected (p>0.05) in test rats when compared to those of the control. The induced changes in the parameters investigated in this study have shown that long-term consumption of water from Nworie River has effect on haematological, hepatic, and renal function

Unraveling the impact of polar solvation on the molecular geometry, spectroscopy (FT-IR, UV, NMR), reactivity (ELF, NBO, HOMO-LUMO) and antiviral inhibitory potential of Cissampeline by molecular docking approach

Cissampeline, a highly promising natural substance derived from medicinal plants of the Cissampelos genus, has recently garnered significant interest due to its potent antiviral properties against a broad spectrum of viral infections. In this comprehensive study, we employed gd3bj-B3LYP/def2svp level of theory to investigate the impact of polar solvation on the molecular structure, dynamical stability, spectroscopy, nature of bonding, and antiviral inhibitory potential of Cissampeline. Our results demonstrated excellent agreement between the theoretically characterized structure and the experimentally determined one. Interestingly, we observed that in the absence of a solvent environment, the gas phase exhibited shorter bond angles compared to when different solvents were utilized, indicating reduced solvent interactions. Regarding solvation dynamics, we found that the total energy of the structure, when optimized in different solvents, followed the order DMSO > MeOH > Water > Gas, with corresponding total final energies of 1736.599 > 867.932 > 837.760 > 413.989 kcal/mol, respectively. Furthermore, NBO analysis revealed the strength of electron delocalization, with the order of perturbation energies being DMSO > MeOH > H2O > Gas phase, measured at 626.07 > 241.40 > 238.65 > 72.93 kcal/mol, respectively. Particularly noteworthy was the σ-σ* transition in the DMSO solvent phase, displaying the highest perturbation energy of 626.07 kcal/mol. FMO analysis provided insights into the energy levels of the studied species, with values of 4.5432 eV for Gas, 4.5250 eV for MeOH, 4.5247 eV for H2O, and 4.5242 eV for DMSO, respectively. Regarding the interaction of Cissampeline with amino acid residues, we found that the ligand exhibited the highest binding affinity with 3MX2 at -7.7 kcal/mol, followed by CMPL + 3T5N at -7.3 kcal/mol, and CMPL + 3MX5 at -6.0 kcal/mol. In comparison, the standard drug RIBAV only displayed successful interaction with 3MX2, showing the least binding affinity at -5.8 kcal/mol. This study showed highlights the remarkable potential of Cissampeline as an effective antiviral agent and sheds light on the importance of considering solvation effects in molecular investigations