Antibacterial and antibiofilm efficacy of k21-E in root canal disinfection

Daood, Umer; Bapat, Ranjeet; Sidhu, Preena; Ilyas, Muhammad Sharjeel; Khan, Abdul Samad; Mak, Kit‐Kay; Pichika, Mallikarjuna Rao; Nagendrababu, Venkateshbabu; Peters, Ove A.

doi:10.1016/j.dental.2021.08.001

Cited by 9 publications

(5 citation statements)

References 52 publications

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“…MD has also shown that QAS also causes conformational changes in SrtA structure, thereby showcasing antibacterial action and can serve as cavity disinfectant preventing secondary caries under restoration [ 10 ]. MMP inhibitors and QAS can be integrated into drug delivery systems for targeted delivery to oral tissues [ 8 ]. Knowing the molecular dynamics of these interactions can assist in designing effective drug delivery systems for the management of various dental diseases [ 29 , 40 ].…”

Section: Resultsmentioning

confidence: 99%

“…There is a lack of research on selectivity of quaternary ammonium salts attachment on MMP to initiate its anti-MMP action. Although S1’pocket could be the possible target [ 8 ], other binding sites like S2’ and S3’ pockets also need to be explored. Hence, the rationale of this research was to recognize the potential catalytic binding sites on MMP for K21 that contribute to substrate distinction and analyzing K21 to be MMPs antagonist.…”

Section: Background and Summarymentioning

confidence: 99%

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Newly discovered clouting interplay between matrix metalloproteinases structures and novel quaternary Ammonium K21: computational and in-vivo testing

Bapat,

Mak,

Pichika

et al. 2024

BMC Oral Health

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Aims and objectives To analyze anti-MMP mode of action of Quaternary Ammonium Silane (QAS, codenamed as k21) by binding onto specific MMP site using computational molecular simulation and Anti-Sortase A (SrtA) mode of action by binding onto specific site using computational molecular simulation. Materials and methods In silico Molecular Dynamics (MD) was used to determine the interactions of K21 inside the pocket of the targeted protein (crystal structure of fibroblast collagenase-1 complexed to a diphenyl-ether sulphone based hydroxamic acid; PDB ID: 966C; Crystal structure of MMP-2 active site mutant in complex with APP-derived decapeptide inhibitor. MD simulations were accomplished with the Desmond package in Schrödinger Drug Discovery Suite. Blood samples (~ 0.5 mL) collected into K2EDTA were immediately transferred for further processing using the Litron MicroFlow® PLUS micronucleus analysis kit for mouse blood according to the manufacturer’s instructions. Bacterial Reverse Mutation Test of K21 Molecule was performed to evaluate K21 and any possible metabolites for their potential to induce point mutations in amino acid-requiring strains of Escherichia coli (E. coli) (WP2 uvrA (tryptophan-deficient)). Results Molecular Simulation depicted that K21 has a specific pocket binding on various MMPs and SrtA surfaces producing a classical clouting effect. K21 did not induce micronuclei, which are the result of chromosomal damage or damage to the mitotic apparatus, in the peripheral blood reticulocytes of male and female CD-1 mice when administered by oral gavage up to the maximum recommended dose of 2000 mg/kg. The test item, K21, was not mutagenic to Salmonella typhimurium (S. typhimurium) strains TA98, TA100, TA1535 and TA1537 and E. coli strain WP2 uvrA in the absence and presence of metabolic activation when tested up to the limit of cytotoxicity or solubility under the conditions of the test. Conclusion K21 could serve as a potent protease inhibitor maintaining the physical and biochemical properties of dental structures.

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Section: Resultsmentioning

confidence: 99%

Section: Background and Summarymentioning

confidence: 99%

Newly discovered clouting interplay between matrix metalloproteinases structures and novel quaternary Ammonium K21: computational and in-vivo testing

Bapat,

Mak,

Pichika

et al. 2024

BMC Oral Health

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“…Fan et al (2020) observed that QAS was very slightly cytotoxic and had superior cell viability compared with 2% CHX. Recent research has shown that QAS with 0.5% and 1% concentration were found to have higher cell viability compared to 2% CHX, 6% NaOCl, 6% NaOCl + 2% CHX (Daood et al, 2021b). Thus, based on research, it is imperative to understand that toxicity is dependent on concentration.…”

Section: Cytotoxicity Of Quaternary Ammonium Silanementioning

confidence: 99%

Recent Update on Applications of Quaternary Ammonium Silane as an Antibacterial Biomaterial: A Novel Drug Delivery Approach in Dentistry

et al. 2022

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Quaternary ammonium silane [(QAS), codename – k21] is a novel biomaterial developed by sol-gel process having broad spectrum antimicrobial activities with low cytotoxicity. It has been used in various concentrations with maximum antimicrobial efficacy and biocompatibility. The antimicrobial mechanism is displayed via contact killing, causing conformational changes within the bacterial cell membrane, inhibiting Sortase-A enzyme, and causing cell disturbances due to osmotic changes. The compound can attach to S1' pockets on matrix metalloproteinases (MMPs), leading to massive MMP enzyme inhibition, making it one of the most potent protease inhibitors. Quaternary ammonium silane has been synthesized and used in dentistry to eliminate the biofilm from dental tissues. QAS has been tested for its antibacterial activity as a cavity disinfectant, endodontic irrigant, restorative and root canal medication, and a nanocarrier for drug delivery approaches. The review is first of its kind that aims to discuss applications of QAS as a novel antibacterial biomaterial for dental applications along with discussions on its cytotoxic effects and future prospects in dentistry.

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“…The cause of the disease is an invasion of bacteria into the pulp through periodontal or defective areas of teeth, causing infection, or through physical channels, causing pain, bleeding, or even necrosis of the pulp [ 3 ]. Currently, the most effective treatment for endodontic and periapical diseases is root canal therapy [ 4 ]. Root canal therapy, also known as endodontic treatment, is a procedure in dentistry to treat necrotic pulp and root infections.…”

Section: Introductionmentioning

confidence: 99%

“…pain, bleeding, or even necrosis of the pulp [3]. Currently, the most effective treatment for endodontic and periapical diseases is root canal therapy [4]. Root canal therapy, also known as endodontic treatment, is a procedure in dentistry to treat necrotic pulp and root infections.…”

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confidence: 99%

The state of the art and future trends of root canal files from the perspective of patent analysis: a study design

et al. 2022

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The goal of this review is to present a detailed and comprehensive description of the published work from the past decade regarding methods of improved material, geometric design, and additional functions in root canal files. The main improved methods of files and the most common technologies were further addressed, underlining their advantages and main limitations. Online databases (the Derwent Innovations Index) were consulted on this topic. Published work from 2010 to 2022 was collected and analyzed the relevant papers were chosen for inclusion in this review. The patent map classified the latest phase of the root canal files based on the analysis of the number of patents. The performance of the root canal files, such as materials. Directly affects the quality of the root canal therapy. We provided a thorough review of advances in the field of root canal files. In particular, three categories of improved methods were examined and compared, including material-based methods, geometry-based methods, and those based on additional functions. To understand this state of the art of different improved methods of root canal files, we conducted a literature analysis and a series of comparisons between different methods. The features and limitations of each method of root canal files were further discussed. Finally, we identified promising research directions in advancing the methods for the improved performance of root canal files. There is no perfect technology for all material/geometric design/additional functions, capable alone of fulfilling all the specificity and necessities of every patient. Although it is very promising, the material of the files remains understudied, and further work is required to make material science a pervasive technology in root canal therapy, and contribute to endodontic and periapical diseases by assisting in the subsequent development of root canal files.

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Antibacterial and antibiofilm efficacy of k21-E in root canal disinfection

Cited by 9 publications

References 52 publications

Newly discovered clouting interplay between matrix metalloproteinases structures and novel quaternary Ammonium K21: computational and in-vivo testing

Newly discovered clouting interplay between matrix metalloproteinases structures and novel quaternary Ammonium K21: computational and in-vivo testing

Recent Update on Applications of Quaternary Ammonium Silane as an Antibacterial Biomaterial: A Novel Drug Delivery Approach in Dentistry

The state of the art and future trends of root canal files from the perspective of patent analysis: a study design

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