WITHDRAWN: Heavy metal ions and dyes removal from aqueous solution using Aloevera-based biosorbent: A systematic review.

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Synthesis and biological evaluation of 1-benzyl-N-(2-(phenylamino)pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamides as antimitotic agents.

A library of 1-benzyl-N-(2-(phenylamino)pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamides (7a-al) have been designed, synthesized and screened for their anti-proliferative activity against some selected human cancer cell lines namely DU-145, A-549, MCF-7 and HeLa. Most of them have shown promising cytotoxicity against lung cancer cell line (A549), amongst them 7f was found to be the most potent anti-proliferative congener. Furthermore, 7f exhibited comparable tubulin polymerization inhibition (IC50 value 2.04 µM) to the standard E7010 (IC50 value 2.15 µM). Moreover, flow cytometric analysis revealed that this compound induced apoptosis via cell cycle arrest at G2/M phase in A549 cells. Induction of apoptosis was further observed by examining the mitochondrial membrane potential and was also confirmed by Hoechst staining as well as Annexin V-FITC assays. Furthermore, molecular docking studies indicated that compound 7f binds to the colchicine binding site of the ß-tubulin. Thus, 7f exhibits anti-proliferative properties by inhibiting the tubulin polymerization through the binding at the colchicine active site and by induction of apoptosis.

Benzo[b]furan derivatives induces apoptosis by targeting the PI3K/Akt/mTOR signaling pathway in human breast cancer cells.

The PI3K/Akt/mTOR signaling pathway plays a key regulatory function in cell survival, proliferation, migration, metabolism and apoptosis. Aberrant activation of the PI3K/Akt/mTOR pathway is found in many types of cancer and thus plays a major role in breast cancer cell proliferation. In our previous studies, benzo[b]furan derivatives were evaluated for their anticancer activity and the lead compounds identified were 26 and 36. These observations prompted us to investigate the molecular mechanism and apoptotic pathway of these lead molecules against breast cancer cells. Benzo[b]furan derivatives (26 and 36) were evaluated for their antiproliferative activity against human breast cancer cell lines MCF-7 and MDA MB-231. These compounds (26 and 36) have shown potent efficiency against breast cancer cells (MCF-7) with IC50 values 0.057 and 0.051µM respectively. Cell cycle analysis revealed that these compounds induced cell cycle arrest at G2/M phase in MCF-7 cells. Western blot analysis revealed that these compounds inhibit the PI3K/Akt/mTOR signaling pathway and induced mitochondrial mediated apoptosis in human breast cancer cells (MCF-7).

Synthesis and biological evaluation of imidazopyridinyl-1,3,4-oxadiazole conjugates as apoptosis inducers and topoisomerase IIα inhibitors.

A series of imidazopyridinyl-1,3,4-oxadiazole conjugates were synthesized and investigated for their cytotoxic activity and some compounds showed promising cytotoxic activity. Compound 8q (NSC: 763639) exhibited notable growth inhibition that satisfies threshold criteria at single dose (10µM) on all human cancer cell lines. This compound was further evaluated at five dose levels (0.01, 0.1, 1, 10 and 100µM) to obtain GI50 values ranging from 1.30 to 5.64µM. Flow cytometric analysis revealed that compound 8q arrests the A549 cells in sub G1 phase followed by induction of apoptosis which was further confirmed by Annexin-V-FITC, Hoechst nuclear staining, caspase 3 activation, measurement of mitochondrial membrane potential and ROS generation. Topo II mediated DNA relaxation assay results showed that conjugate 8q could significantly inhibit the activity of topo II. Moreover, molecular docking studies also indicated binding to the topoisomerase enzyme (PDBID 1ZXN).

Synthesis of 2-anilinopyridyl-triazole conjugates as antimitotic agents.

A series of 2-anilinopyridyl­triazole conjugates (6a­t) were prepared and evaluated for their cytotoxic activity against a panel of three human cancer cell lines. Among them compounds 6q, 6r and 6s showed significant cytotoxic activity with IC50 values ranging from 0.1 to 4.1 µM. Structure­activity relationships were elucidated with various substitutions on these conjugates. Flow cytometric analysis revealed that these compounds arrest the cell cycle at the G2/M phase and induce cell death by apoptosis. The tubulin polymerization assay and immunofluorescence analysis showed that these compounds (6q, 6r and 6s) effectively inhibited the microtubule assembly in human prostate cancer cells (DU-145). The docking studies showed that 6s interacts and binds efficiently with the tubulin protein at the colchicine binding site. This was further confirmed by the colchicine competitive binding assay. Moreover, compounds 6q, 6r and 6s possess anti-tubulin activity both in vitro and within cells as demonstrated by the ratio of soluble versus polymerized tubulin. Further the apoptotic effects of compounds were confirmed by Hoechst staining, caspase 3 activation, annexin-V FITC, mitochondrial membrane potential and DNA fragmentation analysis. Interestingly, these compounds did not affect the normal human embryonic kidney cells, HEK-293.

Synthesis and biological evaluation of imidazo[1,5-a]pyridine-benzimidazole hybrids as inhibitors of both tubulin polymerization and PI3K/Akt pathway.

A series of imidazo[1,5-a]pyridine-benzimidazole hybrids (5a­aa) were prepared and evaluated for their cytotoxic activity against a panel of sixty human tumor cell lines. Among them compounds 5d and 5l showed significant cytotoxic activity with GI50 values ranging from 1.06 to 14.9 µM and 0.43 to 7.73 µM, respectively. Flow cytometric analysis revealed that these compounds arrest the cell cycle at G2/M phase and induced cell death by apoptosis. The tubulin polymerization assay (IC50 of 5d is 3.25 µM and 5l is 1.71 µM) and immunofluorescence analysis showed that these compounds effectively inhibited the microtubule assembly in human breast cancer cells (MCF-7). Further, the apoptotic effects of compounds were confirmed by Hoechst staining, mitochondrial membrane potential, cytochrome c release, ROS generation, caspase 9 activation and DNA fragmentation analysis. After treatment with these compounds for 48 h, p-PTEN and p-AKT levels were markedly decreased. Moreover, these compounds did not significantly inhibit the normal human embryonic kidney cells, HEK-293. The molecular docking simulations predicted the binding interactions of 5d and 5l with colchicine binding site of the tubulin, which is in compliance with the antiproliferative activity data.

Synthesis and evaluation of N-((1-benzyl-1H-1,2,3-triazol-4-yl)methyl)nicotinamides as potential anticancer agents that inhibit tubulin polymerization.

A series of N-((1-benzyl-1H-1,2,3-triazol-4-yl)methyl)nicotinamides (4) was synthesized and tested for their anticancer activity against a panel of 60 human cancer cell lines. Some of the representative compounds such as 4a, 4b, 4f, 4g, 4i and 4t were selected for the five dose study and amongst them 4g and 4i displayed significant anticancer activity with GI50 values ranging from 0.25 to 8.34 and 1.42 to 5.86µM, respectively. Cell cycle analysis revealed that these compounds induced cell cycle arrest at G2/M phase in MCF-7 cells. The most active compound in this series 4g also inhibited tubulin polymerization with IC50 value 1.93µM superior to that of E7010. Moreover, assay to investigate the effect on caspase-9, Hoechst staining and DNA fragmentation analysis suggested that these compounds induced cell death by apoptosis. Docking experiments showed that they interact and bind efficiently with tubulin protein. Overall, the results demonstrate that N-((1-benzyl-1H-1,2,3-triazol-4-yl)methyl)nicotinamide scaffold possess anticancer property by inhibiting the tubulin polymerization.

Localization of lung abnormalities on chest X-rays using self-supervised equivariant attention.

Chest X-Ray (CXR) images provide most anatomical details and the abnormalities on a 2D plane. Therefore, a 2D view of the 3D anatomy is sometimes sufficient for the initial diagnosis. However, close to fourteen commonly occurring diseases are sometimes difficult to identify by visually inspecting the images. Therefore, there is a drift toward developing computer-aided assistive systems to help radiologists. This paper proposes a deep learning model for the classification and localization of chest diseases by using image-level annotations. The model consists of a modified Resnet50 backbone for extracting feature corpus from the images, a classifier, and a pixel correlation module (PCM). During PCM training, the network is a weight-shared siamese architecture where the first branch applies the affine transform to the image before feeding to the network, while the second applies the same transform to the network output. The method was evaluated on CXR from the clinical center in the ratio of 70:20 for training and testing. The model was developed and tested using the cloud computing platform Google Colaboratory (NVidia Tesla P100 GPU, 16 GB of RAM). A radiologist subjectively validated the results. Our model trained with the configurations mentioned in this paper outperformed benchmark results. Supplementary Information: The online version contains supplementary material available at 10.1007/s13534-022-00249-5.

Exploiting heterogeneous features to improve in silico prediction of peptide status - amyloidogenic or non-amyloidogenic.

BACKGROUND: Prediction of short stretches in protein sequences capable of forming amyloid-like fibrils is important in understanding the underlying cause of amyloid illnesses thereby aiding in the discovery of sequence-targeted anti-aggregation pharmaceuticals. Due to the constraints of experimental molecular techniques in identifying such motif segments, it is highly desirable to develop computational methods to provide better and affordable in silico predictions. RESULTS: Accurate in silico prediction techniques of amyloidogenic peptide regions rely on the cooperation between informative features and classifier design. In this research article, we propose one such efficient fibril prediction implementation exploiting heterogeneous features based on bio-physio-chemical (BPC) properties, auto-correlation function of carefully selected amino acid indices and atomic composition within a protein fragment of amino acids in a window. In an attempt to get an optimal number of BPC features, an evolutionary Support Vector Machine (SVM) integrating a novel implementation of hybrid Genetic Algorithm termed Memetic Algorithm and SVM is utilized. Five prediction modules designed using Artificial Neural Network (ANN) models are trained with independent and integrated features in order to validate the fibril forming motifs. The results provide evidence that incorporating new feature namely auto-correlation function besides BPC, attempt to strengthen the sequence interaction effect in forming the feature vector thereby obtaining better prediction quality in terms of sensitivity, specificity, Mathews Correlation Coefficient and Area under the Receiver Operating Characteristics curve. CONCLUSION: A significant improvement in performance is observed by introducing features like auto-correlation function that maintains sequence order effect, in addition to the conventional BPC properties selected through a novel optimization strategy to predict the peptide status - amyloidogenic or non-amyloidogenic. The proposed approach achieves acceptable results, comparable to most online predictors. Besides, it compensates the lacuna in existing amyloid fibril prediction tools by maintaining equilibrium between sensitivity and specificity.

Phytosynthesis of Silver Nanoparticles Using Perilla frutescens Leaf Extract: Characterization and Evaluation of Antibacterial, Antioxidant, and Anticancer Activities.

PURPOSE: The present study investigates the phytosynthesis of silver nanoparticles (AgNPs) using Perilla frutescens leaf extract, which acts as a reducing agent for the conversion of silver ions (Ag+) into AgNPs. P. frutescens leaf synthesized AgNPs (PF@AgNPs) were evaluated for biomedical properties including antibacterial, antioxidant and anticancer activities. MATERIALS AND METHODS: PF@AgNPs were synthesized using P. frutescens leaf extract and silver nitrate solution. The morphology and physical properties of PF@AgNPs were studied by spectroscopic techniques including, UV-Vis, FTIR, TEM, XRD, DLS, and TGA. Antibacterial activity of PF@AgNPs was evaluated by disk diffusion assay. Antioxidant activity of PF@AgNPs was checked by 2.2-diphenyl-1-picrylhydrazyl (DPPH), and 2.2'-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) free radical scavenging assays. Anticancer activity of PF@AgNPs was checked by 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide assay. Cytotoxic effects of PF@AgNPs on most susceptible cancer cell lines were observed by phase contrast microscopy. RESULTS: PF@AgNPs showed surface plasmon resonance peak at 461 nm. XRD pattern showed that the PF@AgNPs were face-centered cubic crystals with a mean size of 25.71 nm. TEM analysis revealed the different shapes (spherical, rhombic, triangle, and rod) of PF@AgNPs. Zeta potential value (-25.83 mV) indicated that PF@AgNPs were long-term stable and not agglomerated. A low polydispersity index value (0.389) indicated the monodispersity of PF@AgNPs. TGA revealed the high thermal stability of PF@AgNPs. PF@AgNPs exhibited maximum inhibition against Escherichia coli, followed by Bacillus subtilis and Staphylococcus aureus. PF@AgNPs showed maximum inhibition of 68.02 and 62.93% against DPPH and ABTS-free radicals, respectively. PF@AgNPs showed significant anticancer activity against human colon cancer (COLO205) and prostate adenocarcinoma (LNCaP). PF@AgNPs exhibited apoptotic effects on LNCaP cells including cell shrinkage, membrane blebbing, chromatin condensation, fragmentation of nuclei, and formation of apoptotic bodies. CONCLUSION: The present study reports the successful synthesis of PF@AgNPs using P. frutescens leaf extract. The synthesized PF@AgNPs are FCC crystals, monodispersed, long-term stable, and non-agglomerated. The observed antibacterial, antioxidant, and anticancer activities demonstrate the potential biomedical applications of PF@AgNPs.

Comparative evaluation of the effects of an alum-containing mouthrinse and a saturated saline rinse on the salivary levels of Streptococcus mutans.

BACKGROUND: The literature is replete with studies establishing Streptococcus mutans as a major player in the formation of pit and fissure caries in all dentitions. Salivary bacterial levels in turn are related to the number of colonized surfaces. Therefore, decreasing the salivary levels of S. mutans would have a great benefit in decreasing the incidence of dental diseases. AIMS: Keeping in mind the potential antimicrobial effects of saturated saline and alum solutions, the present study was attempted to compare and evaluate the effects of saturated saline rinse and 0.02 M alum mouthrinse on salivary S. mutans levels in children. MATERIALS AND METHODS: The investigation was a double-blind, stratified comparison of three parallel groups of children who used either saturated saline rinse, 0.02 M alum mouthrinse or distilled water (placebo) rinse twice daily under professional supervision for a 21-day period. A total of three saliva samples were taken from each individual - at baseline, on the 10 th day and on the 21 st day, and colony counts of S. mutans were determined. All data were subjected to statistical analysis using Wilcoxon's Signed Ranks Sum and Mann-Whitney "U" test. RESULTS AND CONCLUSIONS: Children using saturated saline rinse and alum rinse showed statistically significant reductions in salivary S. mutans counts after 10 days and also after 21 days. After 21 days, the saturated saline rinse and alum rinse groups showed statistically significant differences over the placebo rinse group. Again, the alum rinse group showed a statistically significant difference over the saturated saline rinse group.

Gaint epidermoid cyst of external ear- a rare case report.

Epidermoid cysts are developmental, benign, cutaneous cysts which are commonly found on face followed by trunk and neck. They account for approximately 80% of follicular cysts of the skin. They are slow growing lesions and remain asymptomatic until or unless secondarily infected. They occasionally have tendency to develop into a malignancy. We describe a case of giant epidermoid cyst of posterior part of external ear, a location where very few cases have been reported in the literature. Since cyst was attached to the external ear, esthetics was also one of the important concern apart from the cyst getting infected, as they cause disfigurement of the face. The cyst was excised surgically. Histopathology confirmed the presumptive diagnosis of Epidermoid cyst. Two-years after the resection there was no recurrence. Due to the possibility of the cyst to transform into a malignancy and for appropriate diagnosis, histopathological examination remains a gold standard for confirmatory diagnosis.

Evaluation of the effects of manuka honey on salivary levels of mutans streptococci in children: a pilot study.

BACKGROUND: There has been much debate in the past about whether honey is harmful to the teeth, mostly as part of the debate about raw sugar versus refined sugar and the results have been equivocal. However, what has not been taken into account is that honey varies markedly in the potency of its antibacterial activity. Manuka (Leptospermum scoparium) honey from New Zealand has been found to have substantial levels of non-peroxide antibacterial activity associated with an unidentified phytochemical component, denoted as Unique Manuka Factor (UMF). AIMS: Considering the potential antimicrobial effects of manuka honey, the present study attempted to investigate effects of twice daily use of manuka honey with UMF 19.5 on salivary levels of Mutans streptococci in children. STUDY DESIGN: The investigation was a stratified comparison of two parallel groups of children who either used manuka honey with regular tooth brushing regimen or continued only with regular tooth brushing regimen twice daily under professional supervision for a 21-day period. A total of three salivary samples were taken from each individual at baseline, day 10, and day 21; colony counts of Streptococcus mutans (S. mutans) were determined. All data was subjected to paired T-test and Wilcoxon's signed ranks sum for intra- and intergroup comparisons respectively. RESULTS: Children using manuka honey showed statistically significant reductions in salivary S. mutans after 10 and 21 days. CONCLUSION: Manuka honey with UMF 19.5 may be considered as an effective adjunctive oral hygiene measure for reducing colony counts in children.

Gap arthroplasty of temporomandibular joint ankylosis by transoral access: a case series.

This article describes a technique of gap arthroplasty in temporomandibular joint (TMJ) ankylosis performed by transoral access. The treatment of TMJ ankylosis by creating an adequate gap is of paramount importance in preventing any future recurrence and this can be achieved only when good access is gained to this complex anatomical joint. Five patients with TMJ ankylosis (eight TMJ) were treated by gap arthroplasty using an intraoral approach. The average mouth opening before surgery was 8.6mm and the average mouth opening achieved postsurgery was 37.9 mm. The average follow-up time was 13 months and none of the patients had any recurrence or significant complications during or after surgery. Our technique relies on the use of a stable landmark to trace the superior-most extent of the ankylotic mass thereby facilitating the removal of the entire mass including the medial extent. We found that even though transoral access is technically challenging and took an average time of 84 min, it has many advantages over conventional extraoral approaches in terms of facial scars and facial nerve injury. The authors also emphasize the importance of good postoperative physiotherapy and presurgical patient counselling to prevent future recurrences.

Synthesis and cytotoxic activity of 2-anilinopyridine-3-acrylamides as tubulin polymerization inhibitors.

In an attempt to develop potent anticancer agents, a series of 2-anilinonicotinyl-linked acrylamide conjugates were designed, synthesized, and evaluated for cytotoxic activity against various human cancer cell lines, anti-tubulin activity and cell-cycle effects. Among the series, compounds 6 d [(E)-N-(6-fluorobenzo[d]thiazol-2-yl)-3-(2-((3,4,5-trimethoxyphenyl)amino)pyridin-3-yl)acrylamide] and 6 p [(E)-3-(2-((4-methoxyphenyl)amino)pyridin-3-yl)-N-(6-nitrobenzo[d]thiazol-2-yl)acrylamide] showed promising cytotoxicity, specifically against the A549 human lung adenocarcinoma epithelial cell line, with GI50 values of 0.6±0.23 and 1.8±0.22 µM, respectively. Furthermore, cell-cycle perturbation studies by flow cytometry analysis indicated drastic cell-cycle effects in the G2 /M phase in this cell line followed by caspase-3 activation and apoptotic cell death. Molecular docking studies of the most potent compound, 6 d, revealed that this compound interacts with and binds efficiently in the active site of tubulin.

Design and synthesis of C3-pyrazole/chalcone-linked beta-carboline hybrids: antitopoisomerase†I, DNA-interactive, and apoptosis-inducing anticancer agents.

A series of ß-carboline hybrids bearing a substituted phenyl and a chalcone/(N-acetyl)-pyrazole moiety at the C1 and C3 positions, respectively, was designed, synthesized, and evaluated for anticancer activity. These new hybrid molecules showed significant cytotoxic activity, with IC50 values ranging from <2.0 µM to 80 µM, and the structure-activity relationships (SAR) associated with substitutions at positions 1 and 3 of these hybrids was clearly addressed. Further, induction of apoptosis was confirmed by Annexin V-FITC, Hoechst staining, and DNA fragmentation analysis. In addition, DNA photocleavage studies proved that two of the hybrids, (E)-1-(furan-2-yl)-3-(1-(4-(trifluoromethyl)phenyl)-9H-pyrido[3,4-b]indol-3-yl)prop-2-en-1-one (7 d) and 1-(3-(furan-2-yl)-5-(1-(4-(trifluoromethyl)phenyl)-9H-pyrido[3,4-b]indol-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone (8 d) could effectively cleave pBR322 plasmid DNA upon irradiation with UV light. Active hybrid 8 d inhibited DNA topoisomerase I activity efficiently and preserved DNA in the supercoiled form. To further corroborate the biological activities, as well as to understand the nature of the interaction of these hybrids with DNA, spectroscopic studies were also performed. Unlike simple ß-carboline alkaloids, the binding mode of these new hybrid molecules with DNA was not similar, and both biophysical as well as molecular docking studies speculated a combilexin-type of interaction with DNA. Further, an in silico study of these ß-carboline hybrids revealed their drug-like properties.

Synthesis and biological evaluation of benzo[b]furans as inhibitors of tubulin polymerization and inducers of apoptosis.

A series of benzo[b]furans was synthesized with modification at the 5-position of the benzene ring by introducing C-linked substituents (aryl, alkenyl, alkynyl, etc.). These compounds were evaluated for their antiproliferative activities, inhibition of tubulin polymerization, and cell-cycle effects. Some compounds in this series displayed excellent activity in the nanomolar range against lung cancer (A549) and renal cell carcinoma (ACHN) cancer cell lines. (6-Methoxy-5-((4-methoxyphenyl)ethynyl)-3-methylbenzofuran-2-yl)(3,4,5-trimethoxyphenyl)methanone (26) and (E)-3-(6-methoxy-3-methyl-2-(1-(3,4,5-trimethoxyphenyl)vinyl)benzofuran-5-yl)prop-2-en-1-ol (36) showed significant activity in the A549 cell line, with IC50 values of 0.08 and 0.06 µM, respectively. G2/M cell-cycle arrest and subsequent apoptosis was observed in the A549 cell line after treatment with these compounds. The most active compound in this series, 36, also inhibited tubulin polymerization with a value similar to that of combretastatin A-4 (1.95 and 1.86 µM, respectively). Furthermore, detailed biological studies such as Hoechst 33258 staining, DNA fragmentation and caspase-3 assays, and western blot analyses with the pro-apoptotic protein Bax and the anti-apoptotic protein Bcl-2 also suggested that these compounds induce cell death by apoptosis. Molecular docking studies indicated that compound 36 interacts and binds efficiently with the tubulin protein.

Surgical Management of Aggressive Central Giant Cell Granuloma of Maxilla through Le Fort I Access Osteotomy.

Giant cell granuloma (GCG) is an uncommon bony lesion in the head and neck region, most commonly affecting the maxilla and mandible and has a female predilection. The clinical behavior of central GCG ranges from a slowly growing asymptomatic swelling to an aggressive lesion. The clinical, radiological, histological features and management of an aggressive GCG of maxilla in an 18-year-old female patient are described and discussed. It is emphasized that surgery is the traditional and still the most accepted treatment for GCG. Le Fort I osteotomy has been advocated as one of the access osteotomy for the surgical management of aggressive and extensive GCG involving the maxilla. The postoperative morbidity and recurrence have been discussed.

Machine learning study of classifiers trained with biophysiochemical properties of amino acids to predict fibril forming Peptide motifs.

It is important to understand the cause of amyloid illnesses by predicting the short protein fragments capable of forming amyloid-like fibril motifs aiding in the discovery of sequence-targeted anti-aggregation drugs. It is extremely desirable to design computational tools to provide affordable in silico predictions owing to the limitations of molecular techniques for their identification. In this research article, we tried to study, from a machine learning perspective, the performance of several machine learning classifiers that use heterogenous features based on biochemical and biophysical properties of amino acids to discriminate between amyloidogenic and non-amyloidogenic regions in peptides. Four conventional machine learning classifiers namely Support Vector Machine, Neural network, Decision tree and Random forest were trained and tested to find the best classifier that fits the problem domain well. Prior to classification, novel implementations of two biologically-inspired feature optimization techniques based on evolutionary algorithms and methodologies that mimic social life and a multivariate method based on projection are utilized in order to remove the unimportant and uninformative features. Among the dimenionality reduction algorithms considered under the study, prediction results show that algorithms based on evolutionary computation is the most effective. SVM best suits the problem domain in its fitment among the classifiers considered. The best classifier is also compared with an online predictor to evidence the equilibrium maintained between true positive rates and false positive rates in the proposed classifier. This exploratory study suggests that these methods are promising in providing amyloidogenity prediction and may be further extended for large-scale proteomic studies.