Nature as a source of inspiration has been shown to have a great beneficial impact on the
development of new computational methodologies. In this scenario, analyses of the …

Application of molecular dynamics simulation technique has become a conventional
computational methodology to calculate significant processes at the molecular level. This …

Isoniazid (INH) is usually administered to treat latent Mycobacterium tuberculosis (Mtb)
infections and is used in combination therapy to treat active tuberculosis (TB). Unfortunately …

Background: The enzyme trans-enoyl-[acyl carrier protein] reductase (InhA) is a central
protein for the development of antitubercular drugs. This enzyme is the target for the pro …

Bruton tyrosine kinase (BTK) is a known drug target for the treatment of autoimmune
diseases, including rheumatoid arthritis (RA). In this study, a series of 1-amino-1H-imidazole …

Mycobacterium tuberculosis (MT) is the aerobic bacterium responsible for the infectious
disease tuberculosis (TB). Among the several anti-TB drugs, the first-line anti-TB prodrug …

It is a formidable challenge to treat tuberculosis as there are increasing cases of
multidrugresistant tuberculosis (MDR-TB) and extensively drug-resistant tuberculosis (XDR …

Objective: Versatile biological activities of nitrogen containing heterocycles in medicinal
chemistry, mainly pyrimidine and pyridine ring based heterocyclic moieties are very …

Based on the global burden of tuberculosis and resistant strains that have recently emerged,
not responding to existing therapies, it has become urgent to search for new remedies …

Abstract The Δ 9-Tetrahydrocannabinol (THCA) is the primary psychoactive compound of
Cannabis Sativa. It is produced by Δ 1-Tetrahydrocannabinolic acid synthase (THCA) which …