Repositioning the Bioactive Compounds Isolated from Bauhinia Galpinii Leaves as Potential Inhibitors Against Human Immunodeficiency Virus (HIV) II Protease Through Application of In Silico Studies

Communication in Physical Sciences 2020, 6(1); 627-634 Received 30 June 2020/Accepted 29 August 2020 The global health implication of human immunodeficiency virus (HIV) II protease has posed an unmatched health challenge provoking increasing interest in search, design and development of new.  Therapeutic agents with the capacity to curb the spread of the disease.  The bioactive compound in the leaf extract of Bauhinia galpiniiand were investigated for inhibitory activity against human immunodeficiency virus (HIV) II protease using molecular docking technique.  Result obtained from the docking analysis revealed that 24-isopropylcholest-5-en-3, 8-diol-1hsh interacted with binding energies of -5.6 Kcal/mol and was selected as the lead molecule.  This molecule was observed to interact with PRO81, ILE84, ALA28, ASP29, ASP30, ILE32, MET76, VAL47, GLY48, GLY49 and ILE50  within the active site of the 1hsh.  ADME prediction revealed that the lead molecule obeys the Lipinski rule without any violation and had a 0.55 bioavailability score.  The blood-brain barrier (BBB) permeant and gastrointestinal absorption (GI) were hindered and low, respectively.  The study concluded that 24-isopropylcholest-5-en-3, 8-diol is a promising candidate for the development of HIV drug. &nbsp

A review on the clinical trials of repurposing therapeutic drugs, mechanisms and preventive measures against SARS-CoV-2

Abstract Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) is a highly transmittable pathogenic viral infection that causes a disease known as COVID-19. It is a pandemic and public health challenge ravaging the world today. Unfortunately, with the daily increase of infected individuals, there is no known drug approved for the treatment of COVID-19. However, there are therapeutic drugs with the potentials to inhibit endocytic pathways, suppress ribonucleic acid (RNA) polymerase activities, and reduce the replication of SARS-CoV-2. These drugs modifications are aimed at reducing inflammation, time of recovery, and number of deaths. This review is aimed at providing updated information on the clinical manifestations, diagnosis, preventive measures and therapeutic drugs used against SARS-CoV-2. The finding of this review revealed that some of these drugs are transmembrane protease, serine 2, and angiotensin-converting enzyme 2 inhibitors with the capacity to block the entrance/replication of SARS-CoV-2 in a host cell and therefore, may be promising in preventing the spread and mortality of SARS-CoV-2. However, these drugs may cause detrimental health effects such as toxic and non-efficacy issues. Therefore great caution should be employed by health professionals when prescribing these drugs to COVID-19 patients.</jats:p