Cardiovascular diseases (CVDs) are the leading cause of death and morbidity globally. The renin-angiotensin system is an important regulatory for maintaining cardiovascular renal function. Therefore, angiotensin-converting enzyme inhibitors angiotensin receptor blockers have emerged as first-line treatments conditions such hypertension heart failure. Currently available synthetic medications us...

In this investigation, the synthesis of 2-substituted pyrimidines by the reaction of benzofuranchalcones (3a-d) with urea, thiourea and guanidine hydrochloride was reported. The structuresof title compounds (4a-d), (5a-d) and (6a-d) were established on the basis of analyticaland spectral data. The synthesized compounds were screened for antimicrobial activityand molecular docking studies. Some ...

The aim of the study was to investigate the effect of tail-docking on the LH pulse frequency in femaleTuj lambs. Twelve female lambs were assigned into two equal groups. A rubber ring was applied to the baseof the tail for shedding off. Blood samples were collected for 8 h in the 4th and 8th months of age todetermine pulsatile secretion of LH. Starting from the age of 6 months, blood samples we...

In this investigation, the synthesis of 2-substituted pyrimidines by the reaction of benzofuranchalcones (3a-d) with urea, thiourea and guanidine hydrochloride was reported. The structuresof title compounds (4a-d), (5a-d) and (6a-d) were established on the basis of analyticaland spectral data. The synthesized compounds were screened for antimicrobial activityand molecular docking studies. Some ...

Flibanserin is a novel antagonist small molecule to treat the hypoactive sexual desire disorder (HSDD) in the premenopausal women. The present article is related to the structural and electronic properties study and docking analysis of the title compound with 5-hydroxytryptamine 2A (5-HT2A) serotonin receptor. To access these aims, the molecular structure of the said compound was optimized usin...

In view of the increasing interest both in inhibitors of protein-protein interactions and in protein drugs themselves, analysis of the three-dimensional structure of protein-protein complexes is assuming greater relevance in drug design. In the many cases where an experimental structure is not available, protein-protein docking becomes the method of choice for predicting the arrangement of the ...

Neuroendocrine cells like chromaffin cells and PC-12 cells are established models for transport, docking and secretion of secretory vesicles. In micrographs, these vesicles are recognized by their electron dense core. The analysis of secretory vesicle distribution is usually performed manually, which is labour-intensive and subject to human bias and error. We have developed an algorithm to anal...

Interaction profile method is a useful method for processing rigid-body docking. After the docking process, the resulting set of docking poses could be classified by calculating similarities among them using these interaction profiles to search for near-native poses. However, there are some cases where the near-native poses are not included in this set of docking poses even when the bound-state...