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  1. Binding Pattern Determination of Class of Antifungal Drugs, Arpit Tandon, A Naqvi, Nitin Chitranshi, S. Sinha
  2. Molecular Docking and dynamics approach towards protein kinase PKnB from Mycobacterium tuberculosis, A. Naqvi, S. Sinha, A. Tandon, D. Srivastava
  3. Study of Benzothiazoles as potential anti-tubercular agents- A Virtual Screening and Molecular Docking study K. Mishra, M. Singh, D. Srivastava, S.A.H. Naqvi
  4. Virtual Screening & Molecular docking of anti- HIV drug candidates containing Coumarin moiety, D. Srivastava, K. Mishra, M. Singh, S.A.H. Naqvi
  5. Inhibitory activity of Coumarins on HIV-1 PR: A Virtual Screening & Molecular docking study, M. Singh, D. Srivastava, K. Mishra, S.A.H. Naqvi.
  6. A Virtual screening & Molecular docking study of Benzothiazoles : Discovery of new anti-tubercular agents, U. Raj, K. Mishra, S.A.H. Naqvi.
  7. Virtual screening and molecular docking of thiadiazoles: Discovery of new anti-tubercular agents, U. Raj, V.B. Singh, K. Mishra, A. Naqvi.
  8. Discovery of New Ligands for PPAR Gamma Based on Thiazolidine-4-one: Virtual Screening, Molecular Docking and Receptor Binding Study, S. Ramasamy, U. Raj, A. Srivastava, R. Bhavsar, C. Lokesh, D. Tripathi, S.A.H Naqvi.
  9. In-silico study to elucidate the anti-bacterial activity of vital molecules from Morinda Citrifolia on Protein Kinase PKnB from Mycobacterium Tuberculosis- K. Mishra, S.A.H. Naqvi.
  10. Binding pattern determination of Benzothiazoles on HIV-PR: Virtual Screening, Molecular Docking, ADME & Tox study- A. Devi, V. Kumar, R. Srivastava, A. Singh, R. Mittal, J. Tewari, A. Naqvi selected for publication and presentation at APBC2011- The 9th Asia Pacific Bioinformatics Conference held in Incheon, Korea from 11-14 January 2011.
  11. Study of Phenothiazine on p53 core domain mutant Y220C: Finding the anti-tumor activity of Phenothiazine, Hardik C. Sheth, V. Kumar, Suchindran H. S, S. Singh, A. Naqvi.
  12. Study to test the pharmacological activity of 1, 3, 4- Thiadiazole on Protein Kinase PKnB from Mycobacterium Tuberculosis: A Virtual Screening & Molecular Docking study, M. K. Sharma, J. S . Tanwar, A. Debnath, A. Vimal, V. C. Gupta, S.A.H. Naqvi.
  13. Inhibitory activity of Coumarins on HIV-1 PR: A Virtual screening and Molecular docking study, M Singh, D. Srivastava,K. Mishra, S.A.H. Naqvi.
  14. Molecular modeling study of Protein Kinase PKnB from Mycobacteirum Tuberculosis with derivatives of 1, 3, 4-Thiadiazole, V. C. Gupta, J. Tanwar, K. Mishra, A, Naqvi.
  15. Inhibitory activity of isomers of Bexlosteride on Human Steroid 5β-Reductase: Virtual Screening & Molecular Docking Study, N. Krishna, Rani, A. Jangid, V. C. Gupta, S.A.H. Naqvi.
  16. Determination of binding mode of 1,3,4- Thiadiazole on Cytochrome P450 2B4: A Virtual Screening & Molecular Docking study S. Tanwar, N. Kumar, L. Kumar, M. Hameed, M. Ishaq, M. Osman. Also selected for poster presentation at ICDDT 2012- 4th International Conference on Drug Discovery & Therapy' held in Dubai, UAE from February 12th  to 15th, 2012.
  17. Study of 4-(Acetylamino)-N-(2-(2, 4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl) benzamide and its derivatives as potent inhibitors of COX-1: Discovery of new anti-inflammatory drugs,A. Patel, J. Jha, V. Dubey, K. Sharma, P. Agarwal, Dr. N. Kalyane, SAH Naqvi..
  18. Study of 4-thiazolidinone as inhibitors of HIV-RT: Virtual Screening & Molecular Docking Study, S. Kalyanshetti S. Chand,A. Yadav,N. Srivastava, S.A.H. Naqvi selected for publication and presentation at Drug Discovery Automation - Chemistry Automation & Compound Management conference track, to be held in May 2012 in Hamburg, Germany.
  19. Calmodulin (CAM) in complex with small molecule ligands based on TFP and Phenothiazine: Implications for structure based drug design, A. Messaoudi, S. James, S. Shukla, D. Das, V. Pandey, S.A.H. Naqvi selected for publication & presentation at Systems Biology Europe.
  20. Study to test the inhibitory activity of THC- Δ9-tetrahydrocannabinol and its derivatives on Acetylcholinesterase (AChe) enzyme: A Molecular Modeling Study, A. Naqvi, S. Bahnassy, K. Uchadia, R. Goyal, L. Sharma, A. Devi.
  21. Study of binding mode of Chalcone and its derivatives on Plasmepsin II from Plasmodium Falciparum: Discovery of new anti-malarial drugs, Naqvi A., Bhattacharya S., Prabhudesai A., Panchal M., Alam M., Alam M. selected for presentation and publication at X- Meeting – 8th International Conference of the Brazilian Association for Bioinformatics & Computational Biology at Sao Paulo, Brazil.
  22. Inhibitory activity of betulin (lup-20(29)-ene-3β,28-diol) on PknB serine/threonine kinase from Mycobacterium tuberculosis: A Molecular Modeling study Naqvi A., Patel K., Agarwal T., Samanta T., Sharma L selected for presentation and publication at BIOCOMP- International Conference on Bioinformatics & Computational Biology at Varna, Bulgaria.
  23. Molecular Docking & Analysis of Peptide Deformylase (PDF) with Hydrazides: Molecular Modeling study of new anti-leptospiral drugs, Mustafa. T. Gabr, S. Madathil, Q. Hussain, K. R. Madhavi, R. Kumar, D. Das, Asif Naqvi., submitted for publication & oral presentation at ISCB-Asia/SCCG 2012, co-hosted by ISCB and BGI, going to be held in Shenzhen, China from December 17-19.
  24. Molecular Modeling study to find inhibitors of HSF1 functional activity for cancer therapeutics: Virtual Screening & Molecular Docking Approach, G. Karthik, R. Keerthana, N.M Premarajan, P. Krithika, S. Ashwin, A. Sairam, S.A.H. Naqvi.
  25. Molecular Modeling study of oncogeninc Y220C mutation of tumor suppressor P53: Study towards the rational design of P53 stabilizing drugs, N. Shri, RNBSN Chandra, D. Kejalaskhmi, Geetha Devi, Asif Naqvi
  26. Determination of binding mode of 1, 3, 4- thiadazole on cytochrome p450 2b4: A virtual screening and molecular docking study, Tanwar, S., N. Kumar, L. Kumar, M. Hameed, M. Osman, M. Ishaq and S. A. H. Naqvi
  27. Study to test the binding of THC- Δ9-tetrahydrocannabinol & derivatives on Acetylcholine binding protein (AChBP): A Virtual Screening & Molecular Docking Study P. P. Panigrahi (1), T. R. Singh(1), R. Singla (2), C. Jayaram (3), R. Sriram (4), S.A.H. Naqvi* (5)
  28. Molecular Modeling study of 4-Phenyl-1H-Imidazole and its derivatives as potential inhibitor of indoleamine 2,3-dioxygenase (IDO) R. Rathna (1), R. Aarthi (1), T. M. Vinodhini (1), A. Kumar (1), A. Pon (1), A. J. Kumar (1), S.A.H. Naqvi* (2)
  29. Design of new inhibitors for HIV-Integrase: Implications of structure based drug design by Molecular Modeling approach J. K. Gupta (1), K.P Nandhini (2), B. A. Cynthia (2), T. G. Krishnan (3), S.A.H. Naqvi* (4)
  30. Inhibitory Activity of Betulin (Lup-20(29)-Ene-3β, 28-Diol) On Pknb Serine/Threonine Kinase from Mycobacterium Tuberculosis: A Molecular Modeling Study M. Aruna Devi, K. Patel, T. Agarwal, A. Gupta, S.A.H. Naqvi*
  31. Study of 1-hydroxy-2-methylanthraquinone and its derivatives on structure of the P53 core domain mutant Y220C: Study towards rational design of p53-stabilizing drugs V. Ahire (1), C. Sasikumar (2), D. R. Majeti (3), S. Rajasekar (4), S. Priya Rajan* (5), V. Selvaprithiviraj (5), D. Viswanathan (4), A. Naqvi (6) 
  32. Study of Phenothiazine on P53 core domain mutant Y220C: Finding the anti-tumor activity of phenothiazine M. Aruna Devi(1) V. Kumar (2), S.A.H. Naqvi* (3) Online Journal of Biosciences & Informatics, Vol:1, Issue 1, 2014, Bioinformatics- 1ISSN 2320- 2912
  33. Study of 1-hydroxy-2-methylanthraquinone and its derivatives on structure of the P53 core domain mutant Y220C: Study towards rational design of p53-stabilizing drugs M. Aruna Devi, S.A.H. Naqvi
  34. Synthesis and Molecular Docking Studies of Some Substituted Thiosemicarbazones Arshi Naqvi, M. Aruna Devi and Asif Naqvi J. Biol. Chem. Research, Volume 31 (1) 2014 Pages No. 512-519
  35. Stabilizing p53 mutant Y220C by 1-hydroxy-2-methylanthraquinone and its derivative: A virtual screening, molecular docking and ADMET study- S.A.H. Naqvi, V. Ahire, G R. Kulkarni, Kaushala P Mishra, Biotechnoilogy & Bioscience journal, 2014, Vol-1, Issue-6
  36. Discovery of new inhibitors of Fatty Acid Amide Hydrolase (FAAH): Study leading to design of new pain and CNS disorder drugs V. Gogineni (1), P.Prakash (2), N.S. Kasim (2), Vignesh .T (2), B. A. Vinoth (3), Chandrika C (3), Rituparna Mahanta (4),S.A.H. Naqvi* (5)
  37. Molecular Modeling study of Phenothiazine and its derivations on Cyclophilin A: Design of new anti cancer inhibitors for Cyclophilin A, V. Mahida(1), B. H. Vagadia(2), Vignesh. P(3), K.Elayaraja(3), Vetrivel. K(3) , D. M. Priyanka(3), S. B. Kungulwar(4), M. A. Shriram(4), S.A.H. Naqvi* (5) at Drug Discovery and Therapy World Congress 2014, Boston, USA.
  38. Inhibitory activity of hydrazides and its derivatives on Plasmepsin-II from Plasmodium Falciparum: Implications of design of new anti-malarial drugs, C. V. Moraes (1), M. Charles(2), M. A. Geethan(2), M. Balakumaran(2), S. Bhushan(3), S.A.H. Naqvi* (4) at SCSB-ISCB-USA
  39. Study of design of new MMP9 inhibitors: A Virtual Screening & molecular Docking Approach M. Ramadevi(1), M. Gururagavan(2), M. I. Jameel(3), B.V.Gayathri(4), G.M. Nandhini(4), B. Khatik(5), R. Verma(5), Dr. K. Sharma (5) S.A.H. Naqvi* (6) at Inernation Conference on antimicrobial Research, 2014, Madrid Spain.
  40. In-Silico molecular docking study of Pyrazolone derivatives: Discovery of new inhibitors of DNA Topoisomerase-I. E.B. Taha(1), A Gupta(2), P. Tomar(3), D. Agarwal(4), V. Mahida(5), P. Pandey(6), R. V, Kavitha(7), Z. Taha(8), S.A.H. Naqvi* (9)
  41. Molecular Modeling study of Human Steroid 5β-Reductase with (13S,17E) -4 -chloro -17-(chloromethylidene) -13 -methyl-1,2, 6,7, 8,9,10,11,12,14,15,16 – dodecahydrocyclopenta [a] phenanthren -3 – one : Virtual Screening, Molecular Docking, ADME & Tox Study, N. Varania (1), M. Ivanati (1), N. A. Ansari (1), S. paliwal (1), Y. Lakhara (1), R. Paliwal (1), Dr. K. Sharma (1) S.A.H. Naqvi* (2) at Drug Discovery Week Europe, 2014.
  42. Molecular Modeling study for discovery of new ligands for PPAR Gamma responsible for Diabetes Type 2: A Virtual Screening, Molecular Docking, ADME & Tox Study V. Vaghasia (1), V. Bhargava (2), A. Mishra (3), B.H. Krishna (4), P. Paul(5), R. Radhakrishnan (5), R. Chouhan (6), S.A.H. Naqvi* (7)
  43. Molecular Modeling study of 6-[(Z) (4-chlorophenyl) diazenyl]-N-(3, 4-dichlorophenyl)-2-oxo-2H-chromene-3-carboxamide on HIV-1 Protease: Virtual Screening, Molecular Docking, ADME & Tox Study, S. Devda (1), V. Saini (1), P. Rao (1), S. Mali (1), P. Bafna(1), T. Sahu (1), S. Parveen(1), Dr. K. Sharma (1) S.A.H. Naqvi* (2) Department of Biotechnology, MLSU, Udaipur, India, (2 ) BioDiscovery Group LifeSciences, India.
  44. Molecular Modeling study of alkaloid from roots of Toddalia Asiatica as inhibitors of HIV1 Reverse Transcriptase: A Molecular Modeling Approach M. Sharma (1), A. Mathur (2), B. Sisodia (2),R. Pareek (2), S. Saroj(2), D. Gupta (3), A. Rathi (4), S. Mishra(5), S.A.H. Naqvi* (6).
  45. Study to test the inhibitory activity of derivatives of THC- Δ9-tetrahydrocannabinol on Acetylcholinesterase (AChe) enzyme: A Virtual Screening, Molecular Docking, ADME & Tox Study R. Jahan (1), G.Dangi (1), M. Kumar(1), N. Paliwal(1), K. Jain (1), M. Saini (1), N. Sharma (1), Dr. K. Sharma (1), S.A.H. Naqvi* (2) at ISMB-ECCB 2015, Dublin, Ireland.
  46. Derivatives of Benzopyrans are Selective Estrogen Receptor beta Agonists (SERBAs): Molecular Modeling study of Benign Prostatic Hyperplasia S. Gopalakrishnan(1), S. Vastrad(1), V.S. Dasan(2), A. Kumar(3), M.A. Akinsaya(4), J. Bhatnagar(5), S.A.H. Naqvi* (6)
  47. In-silico research to discover new inhibitors for matrix protein VP 40 from Ebola Virus: Virtual Screening, Molecular Docking & ADMET Study Dr N. M. Bunnori(1), A.B. Ismail(2), N. Kumar(3), S. Ashwini(3), S. Henry(4), P. Sahare(5), H. Emmanuel(6) S.A.H. Naqvi* (7)
  48. Molecular modeling study for inhibitors of Schistosoma MansoniThioredoxin-Glutathione Reductase (SMTGR) | Virtual screening, Molecular Docking & ADMET approach Abdualrahman M. Abdualkader 1, Hamid Khaledi 2, S.A.H. Naqvi3 accepted for publication and presentation at Global Biotechnology Congress 2016 (4th in the Series) held in Boston, MA, USA.
  49. Inhibitory activity on HSF1 functional activity for cancer therapeutics: A Virtual screening, Molecular Docking, ADME & Tox Study D. Chittora (1), M. R. Kumar (2),.K. Priya (2), M. I. Syed (3), O. Awofisayo(4), N. Singh (5), S. Abdelnaser(6), F. Selma(7), S.A.H. Naqvi* (8) accepted for publication and poster presentation at Basel Life Science Week 2016 - Leading in Europe from 19-22 September 2016.
  50. Molecular docking based screening of compounds against VP40 from Ebola virus Hanaa M Alam El-Din1*, Samah A. Loutfy1, Nasra Fathy1, Mostafa H Elberry1, Ahmed M Mayla1, Sara Kassem2, Asif Naqvi3 Alam El-Din et al. Bioinformation 12(3): 192-196 (2016).
  51. Discovery of new inhibitors of Cruzain from T. Cruzi for Chagas Disease: Virtual Screening, Molecular Docking & ADMET Study Jyoti Bhatnagar (1), Mohammed M. Anwar Abdallah (2), S.A.H. Naqvi* (3) selected for publication and presentation at Basel Life Science Week 2016 - Leading in Europe from 19-22 September 2016.

  52. Discovery of new Farnesyl Pyrophosphate Synthase (FFPS) inhibitors: Molecular modeling study of derivatives of bis-phosphonates J. Bhadoria(1), E.S.D. Shyl(2),. T. E. K. Donia(3), H. Shukla(4), R.M.Sundari(5), A. Rathi(6), T. Reshmi(7),S.A.H. Naqvi* (8) accepted for publication & presentation at 12th ISCB Student Council Symposium 2016 in Orlando, USA, 08 July 2016.

  53. Discovery of novel inhibitors for Focal Adhesion Kinase (FAK): Molecular modeling study for combating cancer Amina I. Dirar(1), Ghada M.E. Eltahir(2), Nidhi Tripathi(3), Samah Mahmoud(4), Moustafa Ahmed Mohammed(5), S.A.H. Naqvi* (6) selected for publication & presentation at ECCB 2016 15th European Conference on Computational Biology from September 3-7, 2016 at The Hague, Netherlands.

  54. Inhibitory study of indoleamine 2,3-dioxygenase | Discovery of new anti cancer drugs for preventing immune escape in several cancers Evanjelene Kennedy (1), Bhanusri S. P (2), Yosra Ayman Emam El Moutakin (3), S.A.H. Naqvi* (4) submitted for publication & presentation at 4th European Student Council Symposium(ESCS) 2016 held in The Hague, Netherlands in September 2016.

  55. Molecular Docking study of p38 MAP Kinase | Inhibitory study for discovery of new anti-inflammatory drugs Raj Kaushal 1*, Sofia BMA Ziada2*, Aakash Jeyachandran3*, Vibhuti Nandel 4*, Syed AH Naqvi 5§ selected for publication and presentation at APBC2017 The Fifteenth Asia Pacific Bioinformatics Conference held in Shenzhen, China.

  56. Virtual screening & Molecular Docking of Pyrazolone Derivatives & DOT1L | Molecular Modeling study of Therapeutic Target in Mixed-lineage Leukemia Barot Vandana(1), Christine Ndongmengome(1), Maya Manjunath(1), Ashalatha(1), Gopinath S.M(1), S.A.H. Naqvi* (2) selected for presentation and publication at International Conference on Computational Chemistry and Biology (ICCCB 2017) will be held in Barcelona, Spain on December 8-10, 2017.

  57. Molecular Modelling study of anti-apoptotic BCL-2(B-cell lymphoma 2) and molecules from Anticancer herbs in India | A Virtual Screening, Molecular Docking & Simulations Study Sofia Bashir Mohamed Ali (1), Susha Shajigeorge (2), Raghav Choudary (3),Yash Shrivastava(4), S.A.H. Naqvi* (4) selected and presented at 3rd International Symposium and Workshop on Functional Genomics and Structural Biology (FGSB2018) held on 23-27 July 2018 at Universiti Putra Malaysia, MALAYSIA.

  58. Structure based drug design of P53 stabilizing drugs: Study of 1,8-Diamino-2,4,5,7-tetrachloroanthraquinone and its derivatives on Oncogenic Y220C Mutant Saurav Kumar Choudhary(1), Neha Gupta(1), Monica Kumari(1), Mohammad Nawaid Zaman(1), Abdalla Moursi Saad Abdelrahman Wedn(2), Viswanath Vittaladevaram(3), Priyanka Shit(4), Harvinder Kour Khera(5) S.A.H. Naqvi* (6) selected Oral presentation at REACH (Recent Advances and Challenges in Healthcare)-2019 on March 16, 2019 at GD Goenka University, Sohna Gurgaon Road, Delhi NCR Haryana, India and published in Asian Journal of Biochemical and Pharmaceutical Research.

  59. Molecular modeling study of anti-tumour molecules from Veratrum Dahuricum with ErbB receptor EGFR tyrosine kinase domain in high-grade glioma Feras Moheisen Almourfi(1), Rabeah Rawashdeh(2), Meenakshi Saravanan(3), S.A.H. Naqvi*(4) submitted for presentation & publication at Rocky 19 going to be held on going to be held on Dec 5-7 2019 in Aspen/Snowmass, CO, USA.

  60. Molecular Modeling study of DOT1L for discovery of new potent inhibitors, drugs for acute leukemias: A Virtual Screening, Molecular Docking, ADME & Tox study. Dr Diya Rajasekhar Chinta (1), Dr Darshan C.L(2), Dr Kokila BN(2), Abhijit Debnath(3), Ravi Kiran Valsani(4), Cynthia Mathew(5), Ashwini S(6), Naveen Kumar(6) S.A.H. Naqvi* (7) selected for oral presentation and publication at 1st Malaysian Association of Cancer Research Scientific Conference going to be held at MAHSA University, Malaysia on 3rd and 4th December 2019.A