The 2019-novel coronavirus (nCoV) has caused a global health crisis by causing disease-19 (COVID-19) pandemic in the human population. unavailability of specific vaccines and anti-viral drug for nCoV, science demands sincere efforts field design discovery COVID-19. novel main protease (SARS-CoV-2 Mpro) play crucial role during disease propagation, hence SARS-CoV-2 Mpro represents as target discovery. Herein, we have applied bioinformatics approach screening chemical compounds from Indian...

Proteases have several applications in the food industry. We report immobilization of procerain B, a novel cysteine protease, on glutaraldehyde-activated chitosan beads through covalent attachment. Glutaraldehyde not only serves as cross-linking agent but also links B surface bead primary amine group (either lysine side chain or N-terminal) by Schiff base linkage. Immobilized was characterized for optimum functional range and stability with respect to pH temperature. The chitosan-immobilized...

Leishmaniasis caused by obligate intracellular parasites of genus Leishmania is one the most neglected tropical diseases threatening 350 million people worldwide. Protein kinases have drawn much attention as potential drug targets due to their important role in various cellular processes. In sp. mitogen-activated protein kinase 4 essential for parasite survival because its involvement regulatory, apoptotic and developmental pathways. The current study reveals identification natural...

The recent pandemic outbreak of COVID-19, caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), raised global health and economic concerns. Phylogenetically, SARS-CoV-2 is closely related to SARS-CoV, both encode the enzyme main protease (M pro /3CL ), which can be a potential target inhibiting viral replication. Through this work, we have compiled structural aspects M conformational changes, with molecular modeling 1-μs MD simulations. Long-scale simulation resolves...

The importance of the main protease (Mpro) enzyme SARS-CoV-2 in digestion viral polyproteins introduces Mpro as an attractive drug target for antiviral design. This study aims to carry out molecular docking, dynamics studies, and prediction ADMET properties selected potential molecules. provides insight into biomolecular interactions understand inhibitory mechanism spatial orientation tested ligands further, identification key amino acid residues within substrate-binding pocket that can be...

Abstract Visceral leishmaniasis, most lethal form of Leishmaniasis, is caused by Leishmania infantum in the Old world. Current therapeutics for disease associated with a risk high toxicity and development drug resistant strains. Thiol‐redox metabolism involving trypanothione reductase, key survival , validated target rational design. Recently published structure reductase (TryR) from L. oxidized reduced along Sb(III), provides vital clues on active site enzyme. In continuation our attempts...

Nanotherapeutic agents (NTA) play a crucial role in clinical medicine, if their unique properties are well understood and exploited. In this direction, we report synthesis characterization of highly potent phytofabricated silver nanoparticles (AgNPs) using Sechium edule, which served the purpose both reducing capping agent. The designed AgNPs were characterized UV-Vis spectroscopy, XRD, FTIR, HR-TEM, TGA techniques. formation was also confirmed electrochemistry, to best our knowledge has...

Visceral Leishmaniasis (VL) is an insect-borne neglected disease caused by the protozoan parasite Leishmania donovani. In absence of a commercial vaccine against VL, chemotherapy currently only option used for treatment VL. Vaccination has been considered as most effective and powerful tool complete eradication control infectious diseases. this study, we aimed to design peptide-based L. donovani using immuno-bioinformatic tools. We identified 6 HTL, 18 CTL, 25 B-cell epitopes from three...

Proteases are one of the most important classes enzyme and expressed throughout animal plant kingdoms as well in viruses bacteria. The protease family has drawn special attention for drug target cure several diseases such osteoporosis, arthritis cancer. Many proteases from various sources being studied extensively with respect to activity, inhibition structure. In this review, we hope bring together information available about particular emphasis on papain-like cysteine proteases. Besides,...

Resistance of Leishmania parasites to miltefosine, which is only available oral drug, a great concern. We have analyzed global gene expression profiles miltefosine-unresponsive and miltefosine-responsive donovani in order understand the various metabolic processes involved miltefosine drug resistance. The microarray data clearly indicated role oxidative metabolism Furthermore, fluorescence microscopy experiments suggested that L. resists accumulation reactive oxygen species subsequent...

Leishmaniases are an epidemic in various countries, and the parasite is developing resistance against available drugs. Thus, development of new drugs Leishmania open area investigation for synthetic organic chemists. To meet this challenge, a series chromene-2-thione derivatives have been synthesized docked into active site trypanothione reductase (TryR) enzyme required redox balance parasite. These were screened on promastigote, axenic amastigote, intracellular amastigote stages donovani...

Leishmaniasis is caused by several species of leishmania protozoan and one the major vector-born diseases after malaria sleeping sickness. Toxicity available drugs drug resistance development protozoa in recent years has made cure difficult challenging. This urges need to discover new antileishmanial-drug targets development.Tertiary structure leishmanial protein kinase C was predicted found stable with a RMSD 5.8Å during MD simulations. Natural compound withaferin A inhibited at its active...

The structural and functional aspects along with equilibrium unfolding of procerain, a cysteine protease from Calotropis procera, were studied in solution. energetic parameters conformational stability procerain different states also estimated interpreted. Procerain belongs to the α + β class proteins. At pH 2.0, exists partially unfolded state characteristics molten globule-like state, protein is predominantly β-sheet conformation exhibits strong ANS binding. GuHCl temperature denaturation...