Browsing by Author "Nawaz, Muhammad"

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Hydrothermal Synthesis of β-Nb2ZnO6 Nanoparticles for Photocatalytic Degradation of Methyl Orange and Cytotoxicity Study
(2022) Almofty, Sarah A.; Nawaz, Muhammad; Qureshi, Faiza; Al-Mutairi, Rayanah
β-Nb2ZnO6 nanoparticles were synthesized by a hydrothermal process and calcined at two temperatures, 500 °C and 700 °C, and assigned as A and B, respectively. X-ray diffraction, together with transmission electron microscopy, revealed that the β-Nb2ZnO6 nanoparticles calcined at 700 °C (B) were more crystalline than the β-Nb2ZnO6 calcined at 500 °C (A) with both types of nanoparticles having an average size of approximately 100 nm. The physiochemical, photocatalytic, and cytotoxic activities of both types of β-Nb2ZnO6 nanoparticles (A and B) were examined. Interestingly, the photodegradation of methyl orange, used as a standard for environmental pollutants, was faster in the presence of the β-Nb2ZnO6 nanoparticles calcined at 500 °C (A) than in the presence of those calcined at 700 °C (B). Moreover, the cytotoxicity was evaluated against different types of cancer cells and the results indicated that both types of β-Nb2ZnO6 nanoparticles (A and B) exhibited high cytotoxicity against MCF-7 and HCT116 cells but low cytotoxicity against HeLa cells after 24 and 48 h of treatment. Overall, both products expressed similar EC50 values on tested cell lines and high cytotoxicity after 72 h of treatment. As a photocatalyst, β-Nb2ZnO6 nanoparticles (A) could be utilized in different applications including the purification of the environment and water from specific pollutants. Further biological studies are required to determine the other potential impacts of utilizing β-Nb2ZnO6 nanoparticles in the biomedical application field.
Microwave assisted synthesis of 2-amino-4-chloro-pyrimidine derivatives: Anticancer and computational study on potential inhibitory action against COVID-19
(2022) Qureshi, Faiza; Faiza Qureshi; Hisaindee, Soleiman; Almofty, Sarah Ameen; Ansari, Mohammad Azam; Jamal, Qazi Mohammad Sajid; Ullah, Nisar; Taha, Muhammad; Alshehri, Ohood; Huwaimel, Bader; Bin Break, Mohammed Khaled
We report microwave synthesis of seven unique pyrimidine anchored derivatives (1–7) incorporating multifunctional amino derivatives along with their in vitro anticancer activity and their activity against COVID-19 in silico. 1–7 were characterized by different analytical and spectroscopic techniques. Cytotoxic activity of 1–7 was tested against HCT116 and MCF7 cell lines, whereby 6 exhibited highest anticancer activity on HCT116 and MCF7 with EC50 values of 89.24 ± 1.36 µM and 89.37 ± 1.17 µM, respectively. Molecular docking was performed for derivatives (1–7) on main protease for SARS-CoV-2 (PDB ID: 6LU7). Results revealed that most of the derivatives had superior or equivalent affinity for the 3CLpro, as determined by docking and binding energy scores. 6 topped the rest with highest binding energy score of −8.12 kcal/mol with inhibition constant reported as 1.11 µM. ADME, drug-likeness, and pharmacokinetics properties of 1–7 were tested using Swiss ADME tool. Toxicity analysis was done with pkCSM online server. All derivatives showed high GI absorption. Except 1 and 3, all derivatives showed blood brain barrier permeability. Most derivatives showed negative logKp values suggesting derivatives are less skin permeable and bioavailability score of all derivatives was 0.55. The toxicity analysis demonstrated that all derivatives have no skin sensitization properties. 6 and 7 showed maximum tolerated dose (Human) values of −0.03 and −0.018, respectively and absence of AMES toxicity.
Microwave-Assisted Synthesis of Phthalazinone Derivatives with Biological Activity and In Silico Antiproliferative Studies
(2022) Rasha Almalih; Abubshait, Haya A.; Almalih, Rasha; Mohamed Sayed Mansour; Nawaz, Muhammad; Azzah Alghamdi; Alghamdi, Azzah I.
Abstract Several nitrogen heterocycles are considered as privileged scaffolds in drug discovery and are present in several drugs with diverse biological activities. Herein, we report the synthesis and characterization of phthalazinone derivatives by using a green synthesis protocol under microwave irradiation. The reduced reaction time and high yield are some of the advantages that render this procedure a greener alternative to conventional chemical synthesis. The structures of all new derivatives were confirmed by spectral analysis. Synthesized derivatives show an effective antimicrobial effect. These compounds were also screened for their in vitro anticancer activity against colon cancer cell line (HCT116). Among the synthesized derivatives are exhibited the highest anticancer activity with IC50 of 28.97±0.11, 66.25±0.14 and 76.04±0.09 μM respectively. The antiproliferative activity was supported by molecular docking studies that showed that phthalazinone derivatives would potentially act through inhibition of PARP. The simulation studies substantiated the biological results as an active compounds in term of binding interactions and scores.