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Article ; Online: Nanotechnology—A Light of Hope for Combating Antibiotic Resistance

Ghazala Muteeb

Microorganisms, Vol 11, Iss 1489, p

2023 Volume 1489

Abstract: Antibiotic usage and resistance are major health concerns. Antibiotic resistance occurs when bacteria evolve to resist the effects of antibiotics, making it impossible to treat infections. The overuse and misuse of antibiotics are the main contributing ... ...

Abstract	Antibiotic usage and resistance are major health concerns. Antibiotic resistance occurs when bacteria evolve to resist the effects of antibiotics, making it impossible to treat infections. The overuse and misuse of antibiotics are the main contributing factors, while environmental stress (such as heavy metals accumulation), unhygienic conditions, illiteracy, and unawareness also contribute to antibiotic resistance. The slow and costly development of new antibiotics has lagged behind the emergence of antibiotic-resistant bacteria, and the overuse of antibiotics leads to negative consequences. The current study used different literature resources to generate an opinion and find a possible solution to antibiotic barriers. Different scientific approaches have been reported to overcome antibiotic resistance. The most useful approach among these is nanotechnology. Nanoparticles can be engineered to disrupt bacterial cell walls or membranes, effectively eliminating resistant strains. Additionally, nanoscale devices enable the real-time monitoring of bacterial populations, allowing for the early detection of resistance emergence. Nanotechnology, along with evolutionary theory offers promising avenues in combating antibiotic resistance. Evolutionary theory helps us understand the mechanisms by which bacteria develop resistance, allowing us to anticipate and counteract their adaptive strategies. By studying the selective pressures that drive resistance, we can therefore design more effective interventions or traps. The synergy between the evolutionary theory and nanotechnology presents a powerful approach to combat antibiotic resistance, offering new avenues for the development of effective treatments and the preservation of our antibiotic arsenal.
Keywords	antibiotics ; antibiotics resistance ; nanotechnology ; heavy metals ; global health ; Biology (General) ; QH301-705.5
Subject code	610
Language	English
Publishing date	2023-06-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Editorial

Ghazala Muteeb / Md Tabish Rehman / Bibhusita Pani / Rizwan Hasan Khan

Frontiers in Molecular Biosciences, Vol

Novel drug-designing approaches to combat antimicrobial resistance

2024 Volume 10

Keywords	immunoinformatics ; antimicrobial resistance ; in-silico ; African catfish antimicrobial peptides (ACAPs) ; structure-activity relationship (SAR) ; Biology (General) ; QH301-705.5
Language	English
Publishing date	2024-01-01T00:00:00Z
Publisher	Frontiers Media S.A.
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Risedronate and Methotrexate Are High-Affinity Inhibitors of New Delhi Metallo-β-Lactamase-1 (NDM-1)

Ghazala Muteeb / Abdulrahman Alsultan / Mohd Farhan / Mohammad Aatif

Molecules, Vol 27, Iss 1283, p

A Drug Repurposing Approach

2022 Volume 1283

Abstract: Bacteria expressing New Delhi metallo-β-lactamase-1 (NDM-1) can hydrolyze β-lactam antibiotics (penicillins, cephalosporins, and carbapenems) and, thus, mediate multidrug resistance. The worldwide dissemination of NDM-1 poses a serious threat to public ... ...

Abstract	Bacteria expressing New Delhi metallo-β-lactamase-1 (NDM-1) can hydrolyze β-lactam antibiotics (penicillins, cephalosporins, and carbapenems) and, thus, mediate multidrug resistance. The worldwide dissemination of NDM-1 poses a serious threat to public health, imposing a huge economic burden in the development of new antibiotics. Thus, there is an urgent need for the identification of novel NDM-1 inhibitors from a pool of already-known drug molecules. Here, we screened a library of FDA-approved drugs to identify novel non-β-lactam ring-containing inhibitors of NDM-1 by applying computational as well as in vitro experimental approaches. Different steps of high-throughput virtual screening, molecular docking, molecular dynamics simulation, and enzyme kinetics were performed to identify risedronate and methotrexate as the inhibitors with the most potential. The molecular mechanics/generalized Born surface area (MM/GBSA) and molecular dynamics (MD) simulations showed that both of the compounds (risedronate and methotrexate) formed a stable complex with NDM-1. Furthermore, analyses of the binding pose revealed that risedronate formed two hydrogen bonds and three electrostatic interactions with the catalytic residues of NDM-1. Similarly, methotrexate formed four hydrogen bonds and one electrostatic interaction with NDM-1’s active site residues. The docking scores of risedronate and methotrexate for NDM-1 were –10.543 kcal mol −1 and −10.189 kcal mol −1 , respectively. Steady-state enzyme kinetics in the presence of risedronate and methotrexate showed a decreased catalytic efficiency (i.e., kcat/Km) of NDM-1 on various antibiotics, owing to poor catalytic proficiency and affinity. The results were further validated by determining the MICs of imipenem and meropenem in the presence of risedronate and methotrexate. The IC 50 values of the identified inhibitors were in the micromolar range. The findings of this study should be helpful in further characterizing the potential of risedronate and methotrexate to treat ...
Keywords	antibiotic resistance ; FDA-approved drugs ; metallo-β-lactamase ; molecular docking and simulation ; structure-based drug design ; Organic chemistry ; QD241-441
Subject code	540
Language	English
Publishing date	2022-02-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Soy Isoflavones Induce Cell Death by Copper-Mediated Mechanism

Mohd Farhan / Mohamed El Oirdi / Mohammad Aatif / Insha Nahvi / Ghazala Muteeb / Mir Waqas Alam

Molecules, Vol 28, Iss 2925, p

Understanding Its Anticancer Properties

2023 Volume 2925

Abstract: Cancer incidence varies around the globe, implying a relationship between food and cancer risk. Plant polyphenols are a class of secondary metabolites that have recently attracted attention as possible anticancer agents. The subclass of polyphenols, ... ...

Abstract	Cancer incidence varies around the globe, implying a relationship between food and cancer risk. Plant polyphenols are a class of secondary metabolites that have recently attracted attention as possible anticancer agents. The subclass of polyphenols, known as isoflavones, includes genistein and daidzein, which are present in soybeans and are regarded as potent chemopreventive agents. According to epidemiological studies, those who eat soy have a lower risk of developing certain cancers. Several mechanisms for the anticancer effects of isoflavones have been proposed, but none are conclusive. We show that isoflavones suppress prostate cancer cell growth by mobilizing endogenous copper. The copper-specific chelator neocuproine decreases the apoptotic potential of isoflavones, whereas the iron and zinc chelators desferroxamine mesylate and histidine do not, confirming the role of copper. Reactive oxygen species (ROS) scavengers reduce isoflavone-induced apoptosis in these cells, implying that ROS are cell death effectors. Our research also clearly shows that isoflavones interfere with the expression of the two copper transporter genes, CTR1 and ATP7A , in cancerous cells. Copper levels are widely known to be significantly raised in all malignancies, and we confirm that isoflavones can target endogenous copper, causing prooxidant signaling and, eventually, cell death. These results highlight the importance of copper dynamics within cancer cells and provide new insight into the potential of isoflavones as cancer-fighting nutraceuticals.
Keywords	isoflavones ; genistein ; daidzein ; copper ; anticancer ; cell death ; Organic chemistry ; QD241-441
Subject code	610
Language	English
Publishing date	2023-03-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Bioassay-Guided Alkaloids Isolation from Camellia sinensis and Colchicum luteum

Mohammad Aatif / Muhammad Asam Raza / Mohamed El Oirdi / Mohd Farhan / Muhammad Waseem Mumtaz / Muhammad Hamayun / Adnan Ashraf / Ghazala Muteeb

Molecules, Vol 28, Iss 2459, p

In Silico and In Vitro Evaluations for Protease Inhibition

2023 Volume 2459

Abstract: Bioassay-guided isolation from Camellia sinensis (Theaceae) and Colchicum luteum (Liliaceae) utilizing an in vitro model of protease assay revealed colchicine ( 1 ) and caffeine (2) from chloroform fractions, respectively. Their structures were validated ...

Abstract	Bioassay-guided isolation from Camellia sinensis (Theaceae) and Colchicum luteum (Liliaceae) utilizing an in vitro model of protease assay revealed colchicine ( 1 ) and caffeine (2) from chloroform fractions, respectively. Their structures were validated using spectral techniques. The purified compounds were further optimized with Gaussian software utilizing the B3LYP functional and 6-31G(d,p) basis set. The result files were utilized to determine several global reactivity characteristics to explain the diverse behavior of the compounds. Colchicine ( 1 ) showed a higher inhibition of protease activity (63.7 ± 0.5 %age with IC 50 = 0.83 ± 0.07 mM), compared with caffeine ( 2 ) (39.2 ± 1.3 %age). In order to determine the type of inhibition, compound 1 was further studied, and, based on Lineweaver–Burk/Dixon plots and their secondary replots, it was depicted that compound 1 was a non-competitive inhibitor of this enzyme, with a Ki value of 0.690 ± 0.09 mM. To elucidate the theoretical features of protease inhibition, molecular docking studies were performed against serine protease (PDB #1S0Q), which demonstrated that compound 1 had a strong interaction with the different amino acid residues located on the active site of this understudied enzyme, with a high docking score of 16.2 kcal/mol.
Keywords	bioactive compounds ; medicinal chemistry ; purification ; docking studies ; pharmaceutical assessment ; Organic chemistry ; QD241-441
Subject code	540
Language	English
Publishing date	2023-03-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Dieckol and Its Derivatives as Potential Inhibitors of SARS-CoV-2 Spike Protein (UK Strain

Mohammad Aatif / Ghazala Muteeb / Abdulrahman Alsultan / Adil Alshoaibi / Bachir Yahia Khelif

Marine Drugs, Vol 19, Iss 242, p

VUI 202012/01): A Computational Study

2021 Volume 242

Abstract: The high risk of morbidity and mortality associated with SARS-CoV-2 has accelerated the development of many potential vaccines. However, these vaccines are designed against SARS-CoV-2 isolated in Wuhan, China, and thereby may not be effective against ... ...

Abstract	The high risk of morbidity and mortality associated with SARS-CoV-2 has accelerated the development of many potential vaccines. However, these vaccines are designed against SARS-CoV-2 isolated in Wuhan, China, and thereby may not be effective against other SARS-CoV-2 variants such as the United Kingdom variant (VUI-202012/01). The UK SARS-CoV-2 variant possesses D614G mutation in the Spike protein, which impart it a high rate of infection. Therefore, newer strategies are warranted to design novel vaccines and drug candidates specifically designed against the mutated forms of SARS-CoV-2. One such strategy is to target ACE2 (angiotensin-converting enzyme2)–Spike protein RBD (receptor binding domain) interaction. Here, we generated a homology model of Spike protein RBD of SARS-CoV-2 UK strain and screened a marine seaweed database employing different computational approaches. On the basis of high-throughput virtual screening, standard precision, and extra precision molecular docking, we identified BE011 (Dieckol) as the most potent compounds against RBD. However, Dieckol did not display drug-like properties, and thus different derivatives of it were generated in silico and evaluated for binding potential and drug-like properties. One Dieckol derivative (DK07) displayed good binding affinity for RBD along with acceptable physicochemical, pharmacokinetic, drug-likeness, and ADMET properties. Analysis of the RBD–DK07 interaction suggested the formation of hydrogen bonds, electrostatic interactions, and hydrophobic interactions with key residues mediating the ACE2–RBD interaction. Molecular dynamics simulation confirmed the stability of the RBD–DK07 complex. Free energy calculations suggested the primary role of electrostatic and Van der Waals’ interaction in stabilizing the RBD–DK07 complex. Thus, DK07 may be developed as a potential inhibitor of the RBD–ACE2 interaction. However, these results warrant further validation by in vitro and in vivo studies.
Keywords	COVID-19 ; natural compounds ; marine-derived compounds ; molecular docking and simulation ; seaweeds ; spike protein ; Biology (General) ; QH301-705.5
Subject code	540
Language	English
Publishing date	2021-04-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Curcumin and Its Derivatives Induce Apoptosis in Human Cancer Cells by Mobilizing and Redox Cycling Genomic Copper Ions

Mohammed Ahmed Ismail Alhasawi / Mohammad Aatif / Ghazala Muteeb / Mir Waqas Alam / Mohamed El Oirdi / Mohd Farhan

Molecules, Vol 27, Iss 7410, p

2022 Volume 7410

Abstract: Turmeric spice contains curcuminoids, which are polyphenolic compounds found in the Curcuma longa plant’s rhizome. This class of molecules includes curcumin, demethoxycurcumin, and bisdemethoxycurcumin. Using prostate cancer cell lines PC3, LNCaP, DU145, ...

Abstract	Turmeric spice contains curcuminoids, which are polyphenolic compounds found in the Curcuma longa plant’s rhizome. This class of molecules includes curcumin, demethoxycurcumin, and bisdemethoxycurcumin. Using prostate cancer cell lines PC3, LNCaP, DU145, and C42B, we show that curcuminoids inhibit cell proliferation (measured by MTT assay) and induce apoptosis-like cell death (measured by DNA/histone ELISA). A copper chelator (neocuproine) and reactive oxygen species scavengers (thiourea for hydroxyl radical, superoxide dismutase for superoxide anion, and catalase for hydrogen peroxide) significantly inhibit this reaction, thus demonstrating that intracellular copper reacts with curcuminoids in cancer cells to cause DNA damage via ROS generation. We further show that copper-supplemented media sensitize normal breast epithelial cells (MCF-10A) to curcumin-mediated growth inhibition, as determined by decreased cell proliferation. Copper supplementation results in increased expression of copper transporters CTR1 and ATP7A in MCF-10A cells, which is attenuated by the addition of curcumin in the medium. We propose that the copper-mediated, ROS-induced mechanism of selective cell death of cancer cells may in part explain the anticancer effects of curcuminoids.
Keywords	curcuminoids ; copper ; ROS ; pro-oxidant ; anticancer ; Organic chemistry ; QD241-441
Subject code	500 ; 610
Language	English
Publishing date	2022-11-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Anticancer effect of zinc oxide nanoparticles prepared by varying entry time of ion carriers against A431 skin cancer cells in vitro

Albandri Yousef Aljohar / Ghazala Muteeb / Qamar Zia / Sahabjada Siddiqui / Mohammad Aatif / Mohd Farhan / Mohd. Farhan Khan / Abdulrahman Alsultan / Azfar Jamal / Adil Alshoaibi / Ejaz Ahmad / Mir Waqas Alam / Md Arshad / Mohd Imran Ahamed

Frontiers in Chemistry, Vol

2022 Volume 10

Abstract: Although, zinc oxide nanoparticles (ZRTs) as an anti-cancer agent have been the subject of numerous studies, none of the reports has investigated the impact of the reaction entry time of ion-carriers on the preparation of ZRTs. Therefore, we synthesized ... ...

Abstract	Although, zinc oxide nanoparticles (ZRTs) as an anti-cancer agent have been the subject of numerous studies, none of the reports has investigated the impact of the reaction entry time of ion-carriers on the preparation of ZRTs. Therefore, we synthesized variants of ZRTs by extending the entry time of NaOH (that acts as a carrier of hydroxyl ions) in the reaction mixture. The anti-proliferative action, morphological changes, reactive oxygen species (ROS) production, and nuclear apoptosis of ZRTs on human A431 skin carcinoma cells were observed. The samples revealed crystallinity and purity by X-ray diffraction (XRD). Scanning electron microscopy (SEM) images of ZRT-1 (5 min ion carrier entry) and ZRT-2 (10 min ion carrier entry) revealed microtubule like morphology. On prolonging the entry time for ion carrier (NaOH) introduction in the reaction mixture, a relative ascent in the aspect ratio was seen. The typical ZnO band with a slight shift in the absorption maxima was evident with UV-visible spectroscopy. Both ZRT-1 and ZRT-2 exhibited non-toxic behavior as evident by RBC lysis assay. Additionally, ZRT-2 showed better anti-cancer potential against A431 cells as seen by MTT assay, ROS generation and chromatin condensation analyses. At 25 μM of ZRT-2, 5.56% cells were viable in MTT test, ROS production was enhanced to 166.71%, while 33.0% of apoptotic cells were observed. The IC50 for ZRT-2 was slightly lower (6 μM) than that for ZRT-1 (8 μM) against A431 cells. In conclusion, this paper presents a modest, economical procedure to generate ZRT nano-structures exhibiting strong cytotoxicity against the A431 cell line, indicating that ZRTs may have application in combating cancer.
Keywords	zinc oxide nanoparticles ; sol-gel synthesis ; malignant cell lines ; MTT assay ; reactive oxygen species ; Chemistry ; QD1-999
Subject code	500
Language	English
Publishing date	2022-12-01T00:00:00Z
Publisher	Frontiers Media S.A.
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Insight of the Interaction between 2,4-thiazolidinedione and Human Serum Albumin

Safikur Rahman / Md Tabish Rehman / Gulam Rabbani / Parvez Khan / Mohamed F AlAjmi / Md. Imtaiyaz Hassan / Ghazala Muteeb / Jihoe Kim

International Journal of Molecular Sciences, Vol 20, Iss 11, p

A Spectroscopic, Thermodynamic and Molecular Docking Study

2019 Volume 2727

Abstract: Thiazolidinedione derivatives (TZDs) have attracted attention because of their pharmacological effects. For example, certain TZDs have been reported to ameliorate type II diabetes by binding and activating PPARs (peroxisome proliferator-activated ... ...

Abstract	Thiazolidinedione derivatives (TZDs) have attracted attention because of their pharmacological effects. For example, certain TZDs have been reported to ameliorate type II diabetes by binding and activating PPARs (peroxisome proliferator-activated receptors). Nonetheless, no information is available on the interaction between the heterocyclic 2, 4-thiazolidinedione (2,4-TZD) moiety and serum albumin, which could affect the pharmacokinetics and pharmacodynamics of TZDs. In this study, we investigated the binding of 2,4-TZD to human serum albumin (HSA). Intrinsic fluorescence spectroscopy revealed a 1:1 binding stoichiometry between 2,4-TZD and HSA with a binding constant ( K b ) of 1.69 ± 0.15 × 10 3 M −1 at 298 K. Isothermal titration calorimetry studies showed that 2,4-TZD/HSA binding was an exothermic and spontaneous reaction. Molecular docking analysis revealed that 2,4-TZD binds to HSA subdomain IB and that the complex formed is stabilized by van der Waal’s interactions and hydrogen bonds. Molecular dynamics simulation confirmed the stability of the HSA-TZD complex. Further, circular dichroism and 3D fluorescence studies showed that the global conformation of HSA was slightly altered by 2,4-TZD binding, enhancing its stability. The results obtained herein further help in understanding the pharmacokinetic properties of thiazolidinedione.
Keywords	Thiazolidinedione ; human serum albumin ; antidiabetic ; thermodynamic stability ; Biology (General) ; QH301-705.5 ; Chemistry ; QD1-999
Subject code	540
Language	English
Publishing date	2019-06-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article: Thermal induced unfolding of human serum albumin isomers: Assigning residual Î± helices to domain II

Ahmad, Basir / Ankita Varshney / Gamal Badr / Ghazala Muteeb / Mohamed H. Mahmoud / Mohd Ishtikhar / Nida Zaidi / Parvez Alam / Rizwan Hasan Khan

International journal of biological macromolecules. 2015 Apr., v. 75

2015

Abstract: In this study we have investigated the heat induced denaturation of HSA by utilizing spectroscopic approaches including fluorescence and circular dichroism. Thermal denaturation of N isomer (domains IâIII remain intact), B isomer (loss of helical ... ...

Abstract	In this study we have investigated the heat induced denaturation of HSA by utilizing spectroscopic approaches including fluorescence and circular dichroism. Thermal denaturation of N isomer (domains IâIII remain intact), B isomer (loss of helical structure of interdomain contacts) and I state (domain II intact) was found to be co-operative processes while for F isomer domains unfold non-cooperatively. These finding pointed out that during NâF transition, HSA suffers more structural alterations which are not localized only to domain III. Loss of secondary structure in the temperature range 20â60Â°C without effecting tertiary structure of N isomer of HSA is mainly due to loss in helical extensions connecting domain I to II and domain II to III. All the four thermally denatured states (60â96Â°C) of HSA retained approximately 50% residual Î±-helical structures. Near-UV spectroscopy used as a probe for tertiary structure indicated that heat denatured states lost almost all of the tertiary contacts thereby forming molten globule like states. Furthermore, our results provide evidence that residual helical structures are mainly located in domain II.
Keywords	circular dichroism spectroscopy ; denaturation ; fluorescence ; heat ; human serum albumin ; isomers ; spectral analysis ; temperature
Language	English
Dates of publication	2015-04
Size	p. 447-452.
Publishing place	Elsevier B.V.
Document type	Article
ZDB-ID	282732-3
ISSN	1879-0003 ; 0141-8130
ISSN (online)	1879-0003
ISSN	0141-8130
DOI	10.1016/j.ijbiomac.2015.02.003
Database	NAL-Catalogue (AGRICOLA)

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