Browsing CHEM Faculty Scholarship by Author "Battaile, Kevin P."
Now showing items 1-18 of 18
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19F nuclear magnetic resonance and crystallographic studies of 5-fluorotryptophan-labeled anthrax protective antigen and effects of the receptor on stability
Chadegani, Fatemeh; Lovell, Scott; Mullangi, Vennela; Miyagi, Masaru; Battaile, Kevin P.; Bann, James G. (American Chemical Society, 2014-02-04)The anthrax protective antigen (PA) is an 83 kDa protein that is one of three protein components of the anthrax toxin, an AB toxin secreted by Bacillus anthracis. PA is capable of undergoing several structural changes, ... -
3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice
Rathnayake, Athri D.; Zheng, Jian; Kim, Yunjeong; Perera, Krishani Dinali; MacKin, Samantha R.; Meyerholz, David K.; Kashipathy, Maithri M.; Battaile, Kevin P.; Lovell, Scott; Perlman, Stanley; Groutas, William C.; Chang, Kyeong-Ok (NLM (Medline), 2020-08-19)Pathogenic coronaviruses are a major threat to global public health, as exemplified by severe acute respiratory syndrome coronavirus (SARS-CoV), Middle East respiratory syndrome coronavirus (MERS-CoV), and the newly emerged ... -
Broad-spectrum antivirals against 3C or 3C-like proteases of picornaviruses, noroviruses, and coronaviruses
Kim, Yunjeong; Lovell, Scott; Tiew, Kok-Chuan; Mandadapu, Sivakoteswara Rao; Alliston, Kevin R.; Battaile, Kevin P.; Groutas, William C.; Chang, Kyeong-Ok (American Society of Microbiology, 2012-08-22)Phylogenetic analysis has demonstrated that some positive-sense RNA viruses can be classified into the picornavirus-like supercluster, which includes picornaviruses, caliciviruses, and coronaviruses. These viruses possess ... -
Broad-spectrum cyclopropane-based inhibitors of coronavirus 3C-like proteases: Biochemical, structural, and virological studies
Dampalla, Chamandi S.; Nguyen, Harry Nhat; Rathnayake, Athri D.; Kim, Yunjeong; Perera, Krishani Dinali; Madden, Trent K.; Thurman, Hayden A.; Machen, Alexandra J.; Kashipathy, Maithri M.; Liu, Lijun; Battaile, Kevin P.; Lovell, Scott; Chang, Kyeong-Ok; Groutas, William C. (American Chemical Society, 2022-12-28)The advent of SARS-CoV-2, the causative agent of COVID-19, and its worldwide impact on global health, have provided the impetus for the development of effective countermeasures that can be deployed against the virus, ... -
Design, synthesis, and evaluation of a novel series of macrocyclic inhibitors of norovirus 3CL protease
Damalanka, Vishnu C.; Kim, Yunjeong; Kankanamalage, Anushka C. Galasiti; Lushington, Gerald H.; Mehzabeen, Nurjahan; Battaile, Kevin P.; Lovell, Scott; Chang, Kyeong-Ok; Groutas, William C. (Elsevier B.V., 2017-02-15)Norovirus infections have a major impact on public health worldwide, yet there is a current dearth of norovirus-specific therapeutics and prophylactics. This report describes the discovery of a novel class of macrocyclic ... -
Evidence that histidine protonation of receptor-bound anthrax protective antigen is a trigger for pore formation
Wimalasena, D. Shyamali; Janowiak, Blythe E.; Lovell, Scott; Miyagi, Masaru; Sun, Jianjun; Zhou, Haiying; Hajduch, Jan; Pooput, Chaya; Kirk, Kenneth L.; Battaile, Kevin P.; Bann, James G. (American Chemical Society, 2010-08-24)The protective antigen (PA) component of the anthrax toxin forms pores within the low pH environment of host endosomes through mechanisms that are poorly understood. It has been proposed that pore formation is dependent ... -
Oxadiazole-based cell permeable macrocyclic transition state inhibitors of norovirus 3CL protease
Damalanka, Vishnu C.; Kim, Yunjeong; Alliston, Kevin R.; Weerawarna, Pathum M.; Kankanamalage, Anushka C. Galasiti; Lushington, Gerald H.; Mehzabeen, Nurjahan; Battaile, Kevin P.; Lovell, Scott; Chang, Kyeong-Ok; Groutas, William C. (American Chemical Society, 2016-03-10)Human noroviruses are the primary causative agents of acute gastroenteritis and a pressing public health burden worldwide. There are currently no vaccines or small molecule therapeutics available for the treatment or ... -
pH effects on binding between the anthrax protective antigen and the host cellular receptor CMG2
Rajapaksha, Maheshinie; Lovell, Scott; Janowiak, Blythe E.; Andra, Kiran K.; Battaile, Kevin P.; Bann, James G. (Wiley-Blackwell, 2012-10)The anthrax protective antigen (PA) binds to the host cellular receptor capillary morphogenesis protein 2 (CMG2) with high affinity. To gain a better understanding of how pH may affect binding to the receptor, we have ... -
Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease
Galasiti Kankanamalage, Anushka; Weerawarna, Pathum M.; Rathnayake, Athri D.; Kim, Yunjeong; Mehzabeen, Nurjahan; Battaile, Kevin P.; Lovell, Scott; Chang, Kyeong-Ok; Groutas, William C. (John Wiley and Sons, 2019-03-18)Human noroviruses are the primary cause of outbreaks of acute gastroenteritis worldwide. The problem is further compounded by the current lack of norovirus-specific antivirals or vaccines. Noroviruses have a single-stranded, ... -
Structure of the anthrax protective antigen D425A dominant negative mutant reveals a stalled intermediate state of pore maturation
Scott, Harry; Huang, Wei; Andra, Kiran K.; Mamillapalli, Sireesha; Gonti, Srinivas; Day, Alexander; Zhang, Kaiming; Mehzabeen, Nurjahan; Battaile, Kevin P.; Raju, Anjali; Lovell, Scott; Bann, James G.; Taylor, Derek J. (Elsevier, 2022-05-15)The tripartite protein complex produced by anthrax bacteria (Bacillus anthracis) is a member of the AB family of β-barrel pore-forming toxins. The protective antigen (PA) component forms an oligomeric prepore that assembles ... -
Structure-based design and synthesis of triazole-based macrocyclic inhibitors of norovirus protease: Structural, biochemical, spectroscopic, and antiviral studies
Weerawarna, Pathum M.; Kim, Yunjeong; Kankanamalage, Anushka C. Galasiti; Damalanka, Vishnu C.; Lushington, Gerald H.;; Alliston, Kevin R.; Mehzabeen, Nurjahan; Battaile, Kevin P.; Lovell, Scott; Chang, Kyeong-Ok; Groutas, William C. (Elsevier B.V., 2016-08-25)Outbreaks of acute gastroenteritis caused by noroviruses constitute a public health concern worldwide. To date, there are no approved drugs or vaccines for the management and prophylaxis of norovirus infections. A potentially ... -
Structure-based exploration and exploitation of the S-4 subsite of norovirus 3CL protease in the design of potent and permeable inhibitors
Kankanamalage, Anushka C. Galasiti; Kim, Yunjeong; Rathnayake, Athri D.; Damalanka, Vishnu C.; Weerawarna, Pathum M.; Doyle, Sean T.; Alsoudi, Amer F.; Dissanayake, D. M. Padmasankha; Lushington, Gerald H.; Mehzabeen, Nurjahan; Battaile, Kevin P.; Lovell, Scott; Chang, Kyeong-Ok; Groutas, William C. (Elsevier B.V., 2017-01-27)Human noroviruses are the primary cause of epidemic and sporadic acute gastroenteritis. The worldwide high morbidity and mortality associated with norovirus infections, particularly among the elderly, immunocompromised ... -
Structure-guided design and optimization of dipeptidyl inhibitors of Norovirus 3CL protease. Structure-activity relationships and biochemical, x-ray crystallographic, cell-based, and in vivo studies
Kankanamalage, Anushka C. Galasiti; Kim, Yunjeong; Weerawarna, Pathum M.; Uy, Roxanne Adeline Z.; Damalanka, Vishnu C.; Mandadapu, Sivakoteswara Rao; Alliston, Kevin R.; Mehzabeen, Nurjahan; Battaile, Kevin P.; Lovell, Scott; Chang, Kyeong-Ok; Groutas, William C. (American Chemical Society, 2015-04-09)Norovirus infection constitutes the primary cause of acute viral gastroenteritis. There are currently no vaccines or norovirus-specific antiviral therapeutics available for the management of norovirus infection. Norovirus ... -
Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element
Kankanamalage, Anushka C. Galasiti; Kim, Yunjeong; Damalanka, Vishnu C.; Rathnayake, Athri D.; Fehr, Anthony R.; Mehzabeen, Nurjahan; Battaile, Kevin P.; Lovell, Scott; Lushington, Gerald H.; Perlman, Stanley; Chang, Kyeong-Ok; Groutas, William C. (Elsevier, 2018-04-25)There are currently no approved vaccines or small molecule therapeutics available for the prophylaxis or treatment of Middle East Respiratory Syndrome coronavirus (MERS-CoV) infections. MERS-CoV 3CL protease is essential ... -
Structure-guided design of potent inhibitors of SARS-CoV-2 3CL protease: Structural, biochemical, and cell-based studies
Dampalla, Chamandi S.; Rathnayake, Athri D.; Perera, Krishani Dinali; Jesri, Abdul Rahman M.; Nguyen, Harry Nhat; Miller, Matthew J.; Thurman, Hayden A.; Zheng, Jian; Kashipathy, Maithri M.; Battaile, Kevin P.; Lovell, Scott; Perlman, Stanley (American Chemical Society, 2021-12-01)The COVID-19 pandemic is having a major impact on public health worldwide, and there is an urgent need for the creation of an armamentarium of effective therapeutics, including vaccines, biologics, and small-molecule ... -
Structure-guided design of potent spirocyclic inhibitors of severe acute respiratory syndrome coronavirus-2 3C-like protease
Dampalla, Chamandi S.; Rathnayake, Athri D.; Galasiti Kankanamalage, Anushka C.; Kim, Yunjeong; Perera, Krishani Dinali; Nguyen, Harry Nhat; Miller, Matthew J.; Madden, Trent K.; Picard, Hunter R.; Thurman, Hayden A.; Kashipathy, Maithri M.; Liu, Lijun; Battaile, Kevin P.; Lovell, Scott; Chang, Kyeong-Ok; Groutas, William C. (American Chemical Society, 2022-06-09)The worldwide impact of the ongoing COVID-19 pandemic on public health has made imperative the discovery and development of direct-acting antivirals aimed at targeting viral and/or host targets. SARS-CoV-2 3C-like protease ... -
Structure-guided design, synthesis and evaluation of oxazolidinone-based inhibitors of norovirus 3CL protease
Damalanka, Vishnu C.; Kim, Yunjeong; Kankanamalage, Anushka C. Galasiti; Rathnayake, Athri D.; Mehzabeen, Nurjahan; Battaile, Kevin P.; Lovell, Scott; Nguyen, Harry Nhat; Lushington, Gerald H.; Chang, Kyeong-Ok; Groutas, William C. (Elsevier, 2018-01-01)Acute nonbacterial gastroenteritis caused by noroviruses constitutes a global public health concern and a significant economic burden. There are currently no small molecule therapeutics or vaccines for the treatment of ... -
Structure-guided optimization of dipeptidyl inhibitors of Norovirus 3CL protease
Rathnayake, Athri D.; Kim, Yunjeong; Dampalla, Chamandi S.; Nguyen, Harry Nhat; Jesri, Abdul Rahman M.; Kashipathy, Maithri M.; Lushington, Gerald Henry; Battaile, Kevin P.; Lovell, Scott; Chang, Kyeong-Ok; Groutas, William C. (American Chemical Society, 2020-09-18)Acute gastroenteritis caused by noroviruses has a major impact on public health worldwide in terms of morbidity, mortality, and economic burden. The disease impacts most severely immunocompromised patients, the elderly, ...