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Morpholine hydrazone scaffold： Synthesis, anticancer activity and docking studies

Chinese Chemical Letters 2017年第3期28卷 607-611页

作者： Muhammad Taha Syed Adnan Ali Shah Muhammad Afifi Manar Zulkeflee Sadia Sultan Abdul Wadood fazal rahim Nor Hadiani Ismail Atta-ur-Rahman Institute for Natural Product Discovery (AuRlns) Universiti Teknologi MARA Puncak Alam Campus 42300 Bandar Puncak Alam SelangorD. E. Malaysia Faculty of Applied Science UiTM Shah Alam 40450 Shah Alam Selangor D.E. Malaysia Faculty of Pharrnacy Universiti Teknologi MARA Puncat~ Alam Campus 42300 Baadar Puncak Alam Selangor D.E. Malaysia Department of Biochemistry Abdul Wali Khan University Mardan 23200 Pakistan Department of Chemistry Hazara University Mansehra 21300 Pakistan

In this paper, synthesis and anticancer activities of morpholine hydrazones scaffold（1-17） thoroughly studied. Small series of morpholine hydrazones synthesized by treating 5-morpholinothiophene-2-carbaldehyde with different aryl hydrazides to form morpholine hydrazones scaffold（1-17）. The in vitro anticancer potential of all these compounds was checked against human cancer cell lines like Hep G2（human hepatocellular liver carcinoma） and MCF-7（human breast adenocarcinoma）. Analogs 13 had similar substantial cytotoxic effects towards Hep G2 with IC_（50） value 6.31±1.03μmmol/L when compared with the standard Doxorubicin（IC_（50）value 6.00±0.80μmmol/L）; while compounds 5,8 and 9 showed potent cytotoxicity against MCF-7 with IC_（50） value 7.08±0.42μmmol/L, 1.26±0.34μmmol/L and11.22±0.22μmmol/L respectively when compared with the standard Tamoxifen（IC_（50）= 11.00±0.40μmol/L）. Molecular docking studies also performed to understand the binding interaction.

关键词： Morpholine hydrazones Synthesis HepG2 MCF-7 Molecular docking

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Development of bis-thiobarbiturates as successful urease inhibitors and their molecular modeling studies

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Chinese Chemical Letters 2016年第5期27卷 693-697页

作者： fazal rahim Muhammad Ali Shifa Ullah Umer Rashid Hayat Ullah Muhammad Taha Muhammad Tariq Javed Wajid Rehman Aftab Ahmad Khan Obaid Ur Rahman Abid Muhammad Bilal Department of Chemistry Hazara University Department of Chemistry COMSATS Institute of Information Technology Department of Biochemistry and Biotechnology The Islamia University of Bahawalpur Atta-ur-Rahman Institute for Natural Product Discovery Universiti Teknologi MARA (UiTM)Puncak Alam Campus Faculty of Applied Science UiTM Department of Environmental Science COMSATS Institute of Information Technology

Bis-thiobarbiturate derivatives 1-15 have been synthesized, characterized by 1HNMR and El-MS and screened for urease inhibition. All compounds showed various degree of urease inhibitory activity with iC50 values ranging 7.45 ± 0.12 - 74.24 ± 0.81 μmol/L while the standard thiourea behaved normally （ICso = 21.10 ±0.12）. Compounds I （IC50= 7.45 ± 0.12 ]μmol/L）, 9 （IC50 =18,17 ± 1.03 bmol/L） and 13 （IC50= 8.61 ± 0.45 bmol/L） showed excellent urease inhibitory activity in the series. Molecular modeling studies were performed to understand the binding site with the bimetallic nickel center of the enzyme. Structure-activity relationship has also been established for these compounds. This study identified bis- thiobarbiturate as a novel class of urease inhibitors.

关键词： Thiobarbituric acid Synthesis Urease inhibition Molecular docking studies

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Extraction Properties of Calix[4]arenes towards Sulphonated Dyes

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American Journal of Analytical Chemistry 2016年第2期7卷 219-232页

作者： Muhammad Israr Faiza Faheem Fozia T. Minhas Asma Rauf Saba Rauf M. Raza Shah fazal rahim Kiramat Shah M. I. Bhanger Department of Chemistry Hazara University Mansehra Pakistan International Center for Chemical & Biological Science University of Karachi Karachi Pakistan NED University of Engineering & Technology Karachi Pakistan

Extraction of sulphonated dyes through supramolecular interaction with calix[4]arene derivatives is being presented here. The selectivity of calixarene derivatives namely piperidine derivative of calix[4]arene (calix-1), 1-methyl piperazine derivative of calix[4]arene (calix-2), and di-methyl amine derivative of calix[4]arene (calix-3) were evaluated initially against reactive red 2 (RR-2), acid black (AB), reactive blue 19 (B-19) and synthetic dye (D-2) by liquid-liquid extraction experiment. The results showed that the above three calixarenes possess excellent complexation abilities toward the selected dyes. The stoichiometric ratio for the calixarene derivatives and dyes was estimated through Job’s plot, whereas Hildebrand-Benesi equation was used to calculate formation constant (Ks) and molar absorptivity (Δε) of complexes. The binding association (Ka) and dissociation (Kd) constants were calculated by Scatchard plot additionally to further support the complexation data obtained from Hildebrand-Benesi equation. Conversely association constants from, both Hildebrand-Benesi equation and Scatchard plot i.e. Ks and Ka favor strong binding interaction between calix-1: D-2, calix-2: B-19, and calix-3: AB complexes. Thus present study adeptly supports the complexation of calixarene derivatives for sulfonated dyes.

关键词： Calixarene Derivative Complexation Job’s Plot Hildebrand and Benesi Equation Association Constant

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Carbon nanotube cuprous oxide composite based pressure sensors

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Chinese Physics B 2012年第1期21卷 329-333页

作者： Kh.S.Karimov Muhammad Tariq Saeed Chani fazal Ahmad Khalid Adam Khan rahim Khan GIK Institute of Engineering Sciences and Technology Topi 23640District SwabiPakistan Physical Technical Institute of Academy of Sciences Rudaki Ave.33Dushanbe 734025Tajikistan

In this paper, we present the design, the fabrication, and the experimental results of carbon nanotube （CNT） and Cu20 composite based pressure sensors. The pressed tablets of the CNT Cu20 composite are fabricated at a pressure of 353 MPa. The diameters of the multiwalled nanotubes （MWNTs） are between 10 nm and 30 nm. The sizes of the Cu20 micro particles are in the range of 3-4 μm. The average diameter and the average thickness of the pressed tablets are 10 mm and 4.0 mm, respectively. In order to make low resistance electric contacts, the two sides of the pressed tablet are covered by silver pastes. The direct current resistance of the pressure sensor decreases by 3.3 times as the pressure increases up to 37 kN/m^2. The simulation result of the resistance-pressure relationship is in good agreement with the experimental result within a variation of ±2%.

关键词： carbon nanotubes Cu20 micro-powder pressure sensor simulation

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