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Rivaroxaban binding to FXa is mediated through two hydrogen bonds to the amino acid Gly-219. These two hydrogen bonds serve an important role directing the drug into the S1 and S4 subsites of FXa. The first hydrogen bond is a strong interaction which comes from the carbonyl oxygen of the oxazolidinone core of rivaroxaban.
Targeted covalent inhibitors (TCIs) or Targeted covalent drugs are rationally designed inhibitors that bind and then bond to their target proteins.These inhibitors possess a bond-forming functional group of low chemical reactivity that, following binding to the target protein, is positioned to react rapidly with a proximate nucleophilic residue at the target site to form a bond.
Peptide therapeutics are peptides or polypeptides (oligomers or short polymers of amino acids) which are used to for the treatment of diseases.Naturally occurring peptides may serve as hormones, growth factors, neurotransmitters, ion channel ligands, and anti-infectives; peptide therapeutics mimic such functions.
Structure of RuCl(gly)(CO) 3, known as CORM-3, is a CO-releasing drug. [9] Mixed ligand complexes are common for amino acids. Well known examples include [Co(en) 2 (glycinate)] 2+, where en (ethylenediamine) is a spectator ligand. In the area of organometallic complexes, one example of Cp*Ir(κ 3-methionine).
For example, the "fraction bound" of the anticoagulant warfarin is 97%. This means that out of the amount of warfarin in the blood, 97% is bound to plasma proteins. The remaining 3% (the fraction unbound) is the fraction that is actually active and may be excreted. Protein binding can influence the drug's biological half-life. The bound portion ...
dbAMP: [75] Provides an online platform for exploring antimicrobial peptides with functional activities and physicochemical properties on transcriptome and proteome data. dbAMP is an online resource that addresses various topics such as annotations of antimicrobial peptides (AMPs) including sequence information, antimicrobial activities, post ...
Molecules that can participate in molecular binding include proteins, nucleic acids, carbohydrates, lipids, and small organic molecules such as drugs. Hence the types of complexes that form as a result of molecular binding include: protein–protein [13] protein–DNA [14] protein–hormone; protein–drug [15]
Druggability is a term used in drug discovery to describe a biological target (such as a protein) that is known to or is predicted to bind with high affinity to a drug. Furthermore, by definition, the binding of the drug to a druggable target must alter the function of the target with a therapeutic benefit to the patient.