New Findings Reported from COMSATS Institute of Information Technology Describe Advances in Pharmacokinetics [Organotin (IV) based complexes as promiscuous antibacterials: Synthesis, in vitro, in silico pharmacokinetic and docking studies]
By a News Reporter-Staff News Editor at Biotech Week -- Investigators publish new report on Pharmacokinetics. According to news reporting out of Islamabad, Pakistan, by NewsRx editors, research stated, "Five novel triorganotin (IV) compounds have been synthesized and characterized. The tin atom is penta-coordinated to assume trigonal-bipyramidal geometry."
Our news journalists obtained a quote from the research from the COMSATS Institute of Information Technology, "Using in silico derived parameters; the objective of our study is to design and synthesize promiscuous antibacterials potent enough to combat resistance. Among various synthesized organotin (IV) complexes, compound 5 was found as potent antibacterial agent against various bacterial strains. Further lead optimization of drug-like properties was evaluated through in silico predictions. Data mining and computational analysis were utilized to derive compound promiscuity phenomenon to avoid drug attrition rate in designing antibacterials. Xanthine oxidase and human glucose-6-phosphatase were found as only true positive off-target hits by ChEMBL database and others utilizing similarity ensemble approach. Propensity towards alpha-3 receptor, human macrophage migration factor and thiazolidinedione were found as false positive off targets with E-value => 10(-4) for compound 1, 3 and 4. Further, displaying positive drug-drug interaction of compound 1 as uricosuric was validated by all databases and docked protein targets with sequence similarity and compositional matrix alignment via BLAST software."
According to the news editors, the research concluded: "Promiscuity of the compound 5 was further confirmed by in silico binding to different antibacterial targets."
For more information on this research see: Organotin (IV) based complexes as promiscuous antibacterials: Synthesis, in vitro, in silico pharmacokinetic and docking studies. Journal of Organometallic Chemistry, 2014;767():91-100. Journal of Organometallic Chemistry can be contacted at: Elsevier Science Sa, PO Box 564, 1001 Lausanne, Switzerland. (Elsevier - www.elsevier.com; Journal of Organometallic Chemistry - www.elsevier.com/wps/product/cws_home/504090)
Our news journalists report that additional information may be obtained by contacting W. Rehman, COMSATS Inst Informat Technol, Dept. of Phys, Islamabad 44000, Pakistan. Additional authors for this research include S. Haq, B. Muhammad, S.F. Hassan, A. Badshah, M. Waseem, F. Rahim, O.U.R. Abid, F.L. Ansari and U. Rashid (see also Pharmacokinetics).
Keywords for this news article include: Asia, Pharmaceuticals, Drugs, Therapy, Pakistan, Islamabad, Pharmacokinetics
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