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  • PharmaTutor
    22 November 2011

    QSAR Analysis on Some Novel 4-Quinolylhydrazone Derivatives as Anti- Tubercular agent

    About Authors:
    Dr. A. K. Pathak, Parul Sengar, Kamlesh Kumar*
    Department of Pharmacy, Barkatullah University
    Bhopal, M. P.

    Abstract
    A Quantitative Structure Activity Relationship study on a Series of 40 molecules of (4-Quinolylhydrazone compounds) with anti-tubercular activity analogues was made using combination of various physicochemical descriptors (Thermodynamic, electronic and spatial). Several statistical expressions for 2D QSAR & 3D QSAR were developed using stepwise partial least square (PLS) regression analysis and K-Nearest neighboring molecular field analysis (K-NNMFA) respectively. The studies on 2D-QSAR, suggested the four descriptors T_C_C_2, T_C_N_4, Surface area excluding P & S, SsCH3E-index, and H donor count were common and highly contributed the activity. 2DQSAR model developed using partial least square regression approach. Negative logarithmic value of (MIC) was taken as dependent variable and selected discriptors were taken as independent varable. The analysis resulted in the following 2D-equation suggest that, MIC50 = [+0.1587 T_C_C_2- 0.0593 SsCH3E-index- 0.1395 T_C_N_4+ 0.3888 H-Donor Count -3.1556], n =26; Degree of freedom = 22; r2 = 0.75; q2 = 0.67; F test = 22.63;  r2 se = 0.20 ; q2 se = 0.23; pred_r2 = 0.46 ; pred_r2 se = 0.24, a H-donor group at Ar, is important for guiding the design of a new molecule. 3DQSAR model developed using K-nearest neighbour method (training set =33 and test set = 7). The best model derived by the method have q2 = 0.51, q2_se = 0.25, Predr2 = 0.71, pred_r2se = 0.16, n=33, k Nearest Neighbor is 2, Degree of freedom =28. The steric and electrostatic descriptors at the grid points, E_916 (0.1865, 0.3006); S_591 (-0.2851, -0.2580); S_1027 (-0.3273, -0.3090); S926 (30.000, 30.000) plays important role for design of new molecule. 3DQSAR analysis of series of 4-Quinolylhydrazone compounds informed that electropositive and less bulky group increases the biological activity.

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  • 11 November 2011
    Working opportunity as Pharmacist in BHEL - 5 posts

    BHEL-Bhopal, one of the major units of BHEL- the Country's premier engineering Organisation and a NAVRATNA PSU which provides world class products and services to the core sectors like Power, Transportation, Transmission, Defence and Electronics sectors, invites applications for its well-equipped 300 bedded Kasturba Hospital from Para-Medical Staff of Indian origin for the following posts on purely Fixed Tenure Appointment basis. Preference will be given to the residents of MP. State.

  • 7 September 2011
    Job at Adiuvo Pharmaceuticals as Business Development Officer

    Their vision is to become a leading pharmaceutical company by providing cost effective and high quality treatment and preventive medication to improve the quality of Life. Their company focusses on ensuring Quality and creating value for patients, employees and stakeholders.

  • 26 August 2011
    Applications Invited Under Research Project Funded by DST for the Post of Junior Research Fellow at IISER

    Indian Institute of Science Education and Research Bhopal was created in 2008 by the Ministry of Human Resource Development, Government of India. Its mission is to provide quality science education to UG and PG students. The prime focus is to integrate science education and research with a motive of attracting bright students and world class faculty.

  • 3 August 2011
    IISER Invites Project JRF Under Research Project - Government of India

    Indian Institute of Science Education and Research Bhopal was created in 2008 by the Ministry of Human Resource Development, Government of India. Its mission is to provide quality science education to UG and PG students. The prime focus is to integrate science education and research with a motive of attracting bright students and world class faculty. The Institute is committed to impart high moral and ethical values and create concern for social and environment awareness.

  • 2 August 2011
    Application Invited for the Post of Project JRF @ IISER - Government Jobs

    Indian Institute of Science Education and Research Bhopal was created in 2008 by the Ministry of Human Resource Development, Government of India. Its mission is to provide quality science education to UG and PG students. The prime focus is to integrate science education and research with a motive of attracting bright students and world class faculty. The Institute is committed to impart high moral and ethical values and create concern for social and environment awareness.

  • 2 August 2011
    Applications are Invited at IISER for the Post of Project Assistant Under the Research Project Funded by the DBT, Government of India

    Indian Institute of Science Education and Research Bhopal was created in 2008 by the Ministry of Human Resource Development, Government of India. Its mission is to provide quality science education to UG and PG students. The prime focus is to integrate science education and research with a motive of attracting bright students and world class faculty. The Institute is committed to impart high moral and ethical values and create concern for social and environment awareness.

  • 31 July 2011
    Applications are invited for the post of “Project JRF” under project funded by the DBT, Government of India @ IISER

  • 12 June 2011
    2011 Eli Lilly and Company Asia Outstanding Thesis Awards

    National Organic Symposium Trust (NOST) invites nominations for 2011 Eli Lilly and Company Asia Outstanding Thesis Awards from Ph.D. scientists who have submitted their thesis and made significant contributions in the field of medicinal chemistry, organic synthesis, computational chemistry, structural biology or analytical chemistry.

  • 1 June 2011
    Multiple Vacancies for Second Line Managers, First Line Managers, Product Specialists, Trainee Medical Representatives in Sun Pharmaceuticals

    Sun Pharma make speciality pharmaceuticals and active pharmaceutical ingredients. Sun Pharma's brands are prescribed in chronic therapy areas like cardiology, psychiatry, neurology, gastroenterology, diabetology and respiratory.

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