Antiviral compounds and methods for treating infections caused by double-stranded DNA viruses

The present invention relates to polyamide compounds and their use in pharmaceutical compositions and in medical applications for the treatment of human papillomavirus infections and/or polyomavirus infections. For the most up-to-date information about these patents, including the availability of Certificates of Correction, be sure to check the United States Patent and Trademark Office\u27s free, publicly accessible database: Patent Public Search https://ppubs.uspto.gov/pubwebapp/static/pages/landing.htmlhttps://irl.umsl.edu/patents/1001/thumbnail.jp

Calculations of polarizabilities and hyperpolarizabilities for the Be+^+ ion

The polarizabilities and hyperpolarizabilities of the Be$^+$ ion in the $2^2S$ state and the $2^2P$ state are determined. Calculations are performed using two independent methods: i) variationally determined wave functions using Hylleraas basis set expansions and ii) single electron calculations utilizing a frozen-core Hamiltonian. The first few parameters in the long-range interaction potential between a Be$^+$ ion and a H, He, or Li atom, and the leading parameters of the effective potential for the high-$L$ Rydberg states of beryllium were also computed. All the values reported are the results of calculations close to convergence. Comparisons are made with published results where available.Comment: 18 pp; added details to Sec. I

DNA Binding Polyamides and the Importance of DNA Recognition in their use as Gene-Specific and Antiviral Agents

There is a long history for the bioorganic and biomedical use of N-methyl-pyrrole-derived polyamides (PAs) that are higher homologs of natural products such as distamycin A and netropsin. This work has been pursued by many groups, with the Dervan and Sugiyama groups responsible for many breakthroughs. We have studied PAs since about 1999, partly in industry and partly in academia. Early in this program, we reported methods to control cellular uptake of polyamides in cancer cell lines and other cells likely to have multidrug resistance efflux pumps induced. We went on to discover antiviral polyamides active against HPV31, where SAR showed that a minimum binding size of about 10 bp of DNA was necessary for activity. Subsequently we discovered polyamides active against two additional high-risk HPVs, HPV16 and 18, a subset of which showed broad spectrum activity against HPV16, 18 and 31. Aspects of our results presented here are incompatible with reported DNA recognition rules. For example, molecules with the same cognate DNA recognition properties varied from active to inactive against HPVs. We have since pursued the mechanism of action of antiviral polyamides, and polyamides in general, with collaborators at NanoVir, the University of Missouri-St. Louis, and Georgia State University. We describe dramatic consequences of β-alanine positioning even in relatively small, 8-ring polyamides; these results contrast sharply with prior reports. This paper was originally presented by JKB as a Keynote Lecture in the 2nd International Conference on Medicinal Chemistry and Computer Aided Drug Design Conference in Las Vegas, NV, October 2013

How much H and He is "hidden" in SNe Ib/c? I. - low-mass objects

H and He features in photospheric spectra have seldom been used to infer quantitatively the properties of Type IIb, Ib and Ic supernovae (SNe IIb, Ib and Ic) and their progenitor stars. Most radiative transfer models ignored NLTE effects, which are extremely strong especially in the He-dominated zones. In this paper, a comprehensive set of model atmospheres for low-mass SNe IIb/Ib/Ic is presented. Long-standing questions such as how much He can be contained in SNe Ic, where He lines are not seen, can thus be addressed. The state of H and He is computed in full NLTE, including the effect of heating by fast electrons. The models are constructed to represent iso-energetic explosions of the same stellar core with differently massive H/He envelopes on top. The synthetic spectra suggest that 0.06 - 0.14 M_sun of He and even smaller amounts of H suffice for optical lines to be present, unless ejecta asymmetries play a major role. This strongly supports the conjecture that low-mass SNe Ic originate from binaries where progenitor mass loss can be extremely efficient.Comment: 19 pages, 12 figures. Published in MNRAS. V2 with corrections and additional reference

Organometallic chemistry

Transition metal organometallic chemistry is a rapidly expanding field, which has an important relationship to industrial problems of petrochemical catalysis. This thesis describes studies of fundamental organometallic reaction processes, such as C-H and C-C bond formation and cleavage, and investigations of the structure and bonding of organometallic compounds. A number of techniques were used to pursue these studies, including synthesis, X-ray crystallography, and semi-empirical molecular orbital calculations. [continued in text ...]</p