دورية أكاديمية
Non Nucleoside Reverse Transcriptase Inhibitors, Molecular Docking Studies and Antitubercular Activity of Thiazolidin-4-one Derivatives.
| العنوان: | Non Nucleoside Reverse Transcriptase Inhibitors, Molecular Docking Studies and Antitubercular Activity of Thiazolidin-4-one Derivatives. |
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| المؤلفون: | Chitre TS; Department of Pharmaceutical Chemistry, All India Shri Shivaji Memorial Society's College of Pharmacy, Kennedy Road, Near R.T.O., Pune-411001, M.S., India., Patil SM; Department of Pharmaceutical Chemistry, All India Shri Shivaji Memorial Society's College of Pharmacy, Kennedy Road, Near R.T.O., Pune-411001, M.S., India., Sujalegaonkar AG; Department of Pharmaceutical Chemistry, All India Shri Shivaji Memorial Society's College of Pharmacy, Kennedy Road, Near R.T.O., Pune-411001, M.S., India., Asgaonkar KD; Department of Pharmaceutical Chemistry, All India Shri Shivaji Memorial Society's College of Pharmacy, Kennedy Road, Near R.T.O., Pune-411001, M.S., India., Khedkar VM; Shri Vile Parle Kelavani Mandal's Institute of Pharmacy, Mumbai Agra Road, Dhule, Maharashtra-424001, India.; Department of Pharmaceutical Chemistry, Smt. Kashibai Navale College of Pharmacy (SKNCOP); Kondhwa Saswad Road, Pune 411 048, Maharashtra, India., Garud DR; Sir Parashurambhau College, Department of Chemistry, affiliated to SP Pune University, Tilak Road, Pune, India., Jha PC; School of Chemical Sciences, Central University of Gujarat, Gujarat, India., Gaikwad SY; National AIDS Research Institute, Pune, M.S., India., Kulkarni SS; National AIDS Research Institute, Pune, M.S., India., Choudhari A; Combichem-Bioresource Center, OCD, National Chemical laboratory, Pune, M.S., India., Sarkar D; Combichem-Bioresource Center, OCD, National Chemical laboratory, Pune, M.S., India. |
| المصدر: | Current computer-aided drug design [Curr Comput Aided Drug Des] 2019; Vol. 15 (5), pp. 433-444. |
| نوع المنشور: | Journal Article |
| اللغة: | English |
| بيانات الدورية: | Publisher: Bentham Science Publishers Country of Publication: United Arab Emirates NLM ID: 101265750 Publication Model: Print Cited Medium: Internet ISSN: 1875-6697 (Electronic) Linking ISSN: 15734099 NLM ISO Abbreviation: Curr Comput Aided Drug Des Subsets: MEDLINE |
| أسماء مطبوعة: | Original Publication: Sharjah, U.A.E. ; San Francisco, CA : Bentham Science Publishers, c2005- |
| مواضيع طبية MeSH: | Anti-HIV Agents/*chemistry , Anti-HIV Agents/*pharmacology , Antitubercular Agents/*chemistry , Antitubercular Agents/*pharmacology , Thiazolidinediones/*chemistry , Thiazolidinediones/*pharmacology, Cell Line ; Drug Design ; HIV Infections/drug therapy ; HIV-1/drug effects ; Humans ; Molecular Docking Simulation ; Mycobacterium tuberculosis/drug effects ; Reverse Transcriptase Inhibitors/chemistry ; Reverse Transcriptase Inhibitors/pharmacology ; Structure-Activity Relationship ; Tuberculosis/drug therapy |
| مستخلص: | Background: Management of Co-existence of Acquired immunodeficiency syndrome and Tuberculosis has become a global challenge due to the emergence of resistant strains and pill burden. Objective: Hence the aim of the present work was to design and evaluate compounds for their dual activity on HIV-1 and Tuberculosis (TB). Methods: A series of seven, novel Thiazolidin-4-one derivatives were synthesized and evaluated for their anti-HIV and anti-tubercular activity along with Molecular docking studies. All the seven compounds displayed promising activity against the replication of HIV-1 in cell-based assays. The four most active compounds were further evaluated against X4 tropic HIV-1UG070 and R5 tropic HIV-1VB59 primary isolates. The binding affinity of all the designed compounds for HIV-RT and Mycobacterium tuberculosis Enol Reductase (MTB InhA) was gauged by molecular docking studies which revealed crucial thermodynamic interactions governing their binding. Results: The CC50 values for the test compounds were in the range of, 15.08-34.9 μg/ml, while the IC50 values were in the range of 16.1-27.13(UG070; X4) and 12.03-23.64 (VB59; R5) μg/ml. The control drug Nevirapine (NVP) exhibited CC50 value of 77.13 μg/ml and IC50 value of 0.03 μg/ml. Amongst all these compounds, compound number 3 showed significant activity with a TI value of 2.167 and 2.678 against the HIV-1 X4 and the R5 tropic virus respectively. In anti-mycobacterial screening, the compounds proved effective in inhibiting the growth of both log phase and starved MTB cultures. Conclusion: Compound 3 has been found to be active against HIV-1 as well as MTB. (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.) |
| فهرسة مساهمة: | Keywords: Non nucleoside reverse transcriptase; anti-HIV-1 activity; antitubercular activity; human immunodeficiency virus-1; molecular docking; thiazolidin-4-ones. |
| المشرفين على المادة: | 0 (Anti-HIV Agents) 0 (Antitubercular Agents) 0 (Reverse Transcriptase Inhibitors) 0 (Thiazolidinediones) |
| تواريخ الأحداث: | Date Created: 20181222 Date Completed: 20200224 Latest Revision: 20200224 |
| رمز التحديث: | 20240628 |
| DOI: | 10.2174/1573409915666181221102903 |
| PMID: | 30574853 |
| قاعدة البيانات: | MEDLINE |
| تدمد: | 1875-6697 |
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| DOI: | 10.2174/1573409915666181221102903 |