Our Publications:

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• ​In-Silico discovery of 17alpha-hydroxywithanolide-D as potential neuroprotective allosteric modulator of NMDA receptor targeting Alzheimer’s disease: Manoj Kumar Vashisth†, Junkai Hu†, Mingrui Liu, Syed Hussain Basha*, Chen Yu*, Wenhua Huang*, Nature Scientific Reports, DOI: 10.1038/s41598-024-78975-2 (2024).

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• Discovery of novel PDGFR inhibitors targeting Non-Small Cell Lung Cancer using a multistep machine learning assisted hybrid virtual screening approach: S Kranthi Reddy; S V G Reddy; Syed Hussain Basha, Royal Society of Chemistry Advances (Under review) (2024).

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• Deep learning pipeline scoring based lead optimization of a PDGFR Inhibitor targeting Non-Small Cell Lung Cancer : S Kranthi Reddy; S V G Reddy; Syed Hussain Basha, Royal Society of Chemistry Advances (Under review) (2024).

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• Impact of Fe+2 ions on structural integrity of A0A6P1CI42_RHITR NifA protein from Rhizobium tropici strain CIAT 899: Raghuveer Yadav, Hussain Basha Syed, Journal of Biomolecular Structure and Dynamics, DOI: 10.1080/07391102.2023.2256883 (2023).

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• An in-silico investigation of fluoride ions impact on pancreatic lipase: Pavan Kumar Pindi Pulala, Raghuveer Yadav, Hussain Basha Syed, Journal of Cellular Biochemistry 124 (1), 146-155 (2023).

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• In silico structural elucidation of novel lipase encoded by LipHim1 gene and it’s activation by Tween 60: Raja Srinath R, Syed Hussain Basha, Pavan Kumar Pindi, Indian Journal of Biochemistry & Biophysics, Vol. 60, 485-493, DOI: 10.56042/ijbb.v60i6.2777 (2023)

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• Impact of F80M and F83M mutations on the functionality of fluoride ion channel elucidated in microsecond level molecular dynamic simulation: Pulala Raghuveer Yadav, Syed Hussain Basha, Journal of Biomolecular Structure and Dynamics 40 (21), 10899-10904. (2022)

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• CDH5, a Possible New Candidate Gene for Genetic Testing of Lymphedema: Sandro Michelini, Maurizio Ricci, Bruno Amato, Stefano Gentileschi, Dominika Veselenyiova, Sercan Kenanoglu, Alessandro Fiorentino, Danjela Kurti, Mirko Baglivo, Elena Manara, Syed Hussain Basha, Sasi Priya, Juraj Krajcovic, Munis Dundar, Jean Paul Belgrado, Astrit Dautaj, Matteo Bertelli, Lymphatic Research and Biology 20 (5): 496-506 (2022).

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• In-silico anticancer potential of active constituents from “Glycyrrhiza uralensis” targeting PPAR gamma protein: Sasi Priya S. V.S*, Basha Syed Hussain, Harish Kumar D.R.Research, Journal of Chemistry and Environment, DOI: 10.25303/2605rjce3044 (2022).

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• Microsecond Simulation Analysis of Carbonic Anhydrase – II in Complex with (+)- Cathechin Revealed Molecular Interactions Responsible for Its Amelioration Effect on Fluoride Toxicity: Pulala Raghuveer Yadav, Syed Hussain Basha, Sadam DV Satyanarayana,Pavan Kumar Pindi, Journal of Biomolecular Structure and Dynamics, DOI: 10.1080/07391102.2021.1898471 (2021).

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• In-silico screening of Indian medicinal plants active constituents database revealed Gmelanone and Litseferine as potential 3CLpro antagonists targeting SARS-CoV-2 :  Syed Hussain Basha, Sasi priya SVS, Inamul Hasan Madar, Syed Heena Kousar, Jayanna.N, Ghazala Sultan, Journal of PeerScientist 4(1) : e1000030 (2021).

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• Role of Thr199 Residue in Human β-Carbonic Anhydrase-II pH-Dependent Activity Elucidated by Microsecond Simulation Analysis: Pulala Raghuveer Yadav, Syed Hussain Basha, Pavan Kumar Pindi, Journal of Biomolecular Structure and Dynamics, DOI: 10.1080/07391102.2020.1865203 (2020).

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• NOTCH1: Review of its role in lymphatic development and study of seven families with rare pathogenic variants : Sandro Michelini, Maurizio Ricci, Roberta Serrani, Shila Barati, Sercan Kenanoglu, Dominika Veselenyiova, Danjela Kurti, Mirko Baglivo, Syed Hussain Basha, Sasi Priya, Astrit Dautaj, Munis Dundar, Juraj Krajcovic, Matteo Bertelli, Molecular Genetics & Genomic Medicine, e1529 (2020)

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• Segregation Analysis of Rare NRP1 and NRP2 Variants in Families with Lymphedema : Sandro Michelini, Bruno Amato, Maurizio Ricci, Sercan Kenanoglu, Dominika Veselenyiova, Danjela Kurti, Mirko Baglivo, Elena Manara, Munis Dundar, Juraj Krajcovic, Syed Hussain Basha, Sasi Priya, Roberta Serrani, Giacinto A. D. Miggiano, Barbara Aquilanti, Giuseppina Matera, Valeria Velluti, Lucilla Gagliardi, Astrit Dautaj, and Matteo Bertelli, Genes 11 (11) : 1361 (2020)

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• Possible Role of the RORC Gene in Primary and Secondary Lymphedema: Review of the Literature and Genetic Study of Two Rare Causative Variants: Sandro Michelini, Maurizio Ricci, Roberta Serrani, Liborio Stuppia, Tommaso Beccari, Dominika Veselenyiova, Sercan Kenanoglu, Shila Barati, Danjela Kurti, Mirko Baglivo, Syed Hussain Basha, Juraj Krajcovic, Munis Dundar, Matteo Bertelli, Lymphatic Research and Biology, DOI: 10.1089/lrb.2020.0030 (2020)

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• TIE1 as a Candidate Gene for Lymphatic Malformations with or without Lymphedema: Sandro Michelini, Maurizio Ricci, Dominika Veselenyiova, Sercan Kenanoglu, Danjela Kurti, Mirko Baglivo, Alessandro Fiorentino, Syed Hussain Basha, Sasi Priya, Roberta Serrani, Juraj Krajcovic, Munis Dundar, Astrit Dautaj, Matteo Bertelli, International Journal of Molecular Sciences, 21 : 6780 (2020)

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• In-silico anti-inflammatory potential of guaiane dimers from Xylopia vielana targeting COX-2: Syed Shams ul Hassan, Wei-Dong Zhang, Hui-zi Jin, Syed Hussain Basha and S. V. S. Sasi Priya, Journal of Biomolecular Structure and Dynamics. doi: 10.1080/07391102.2020.1815579 (2020).

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• Mutations in the ARAP3 Gene in Three Families with Primary Lymphedema Negative for Mutations in Known Lymphedema-Associated Genes: Maurizio Ricci, Rita Compagna, Bruno Amato, Sercan Kenanoglu, Dominika Veselenyiova, Danjela Kurti, Mirko Baglivo, Syed Hussain Basha, Roberta Serrani, Giacinto Abele Donato Miggiano, Barbara Aquilanti, Giuseppina Matera, Giuseppe Marceddu, Valeria Velluti, Lucilla Gagliardi, Munis Dundar, Juraj Krajcovic, and Matteo Bertelli, International Journal of Genomics, 3781791 (2020).

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• Two rare PROX1 variants in patients with lymphedema: Maurizio Ricci, Bruno Amato, Shila Barati, Rita Compagna, Dominika Veselenyiova, Sercan Kenanoglu, Liborio Stuppia, Tommaso Beccari, Mirko Baglivo, Danjela Kurti, Juraj Krajcovic, Roberta Serrani, Munis Dundar, Syed Hussain Basha, Pietro Chiurazzi, Matteo Bertelli, Molecular Genetics & Genomic Medicine, 1-10 (2020).

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• CYP26B1 and its implications in lymphangiogenesis: Literature review and study of rare variants in two families : M Ricci, R Serrani, B Amato, R Compagna, D Veselenyiova, S Kenanoglu, D Kurti, M Baglivo, J Krajcovic, GAD Miggiano, B Aquilanti, G Matera, V Velluti, L Gagliardi, M Dundar, SH Basha, M Bertelli, Lymphology 53(1): 20-28. (2020)

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• Corona virus drugs: A brief overview of past, present and future : Syed Hussain Basha, Journal of PeerScientist 2(2): e1000013. (2020).

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• Computer-aided identification of lead compounds as Staphylococcal epidermidis FtsZ inhibitors using molecular docking, virtual screening, DFT analysis, and molecular dynamic simulation​: Swayansiddha Tripathy, Susanta Kumar Sahu, Mohammed Afzal Azam & Srikanth Jupudi, J Mol Model 25, 360 doi:10.1007/s00894-019-4238-6 (2019).

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• In-silico studies on Molecular Orbital’s, Geometry Optimization and Molecular Docking of Curcumin as an antibacterial drug targets FtsZ protein: Swayansiddha Tripathy, Susanta Kumar Sahu, Journal of PeerScientist 1(1): e1000006. (2018).

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• Impact of SNP mutations on the structural and functional behavior of CD44 associated with Oral cancer: M. Krishnaveni and Syed Hussain Basha, International Journal of Pharmacy and Biological Sciences 8(2): 352-364 (2018).

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• 3,5-dinitrophenyl clubbed azoles against latent tuberculosis- a theoretical mechanistic study: N.V.S.Viswanadha Murthy.M, V.Girija Sastry, Syed Hussain Basha, Journal of PeerScientist 1(1): e1000001. (2018).

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• Synthesis, molecular docking with COX 1& II enzyme, ADMET screening and in vivo anti-inflammatory activity of oxadiazole, thiadiazole and triazole analogs of felbinac: SA Khan, SM Imam, A Ahmad, Syed Hussain Basha, A Husain, Journal of Saudi Chemical Society, DOI: 10.1016/j.jscs.2017.05.006 (2017).

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• Pharmacophore generation, atom-based 3D-QSAR, molecular docking and molecular dynamics simulation studies on benzamide analogues as FtsZ inhibitors: Swayansiddha Tripathy, Mohammed Afzal Azam,Srikanth Jupudi  & Susanta Kumar Sahu, DOI : 10.1080/07391102.2017.1384401 (2017).

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• In silico development of a novel putative inhibitor of the 3C protease of Coxsackievirus B3 with a benzene sulfonamide skeleton: AK Timiri, Syed Hussain Basha, R Abdelnabi, J Neyts, P Leyssen, BN Sinha et.al, Journal of Pharmaceutical Chemistry 4 (3), 25-34.

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• Characterization of kisspeptin receptor structural features and its plausible mechanism of activation by kisspeptin: Mohd Ashraf Rather, Syed Hussain Basha et.al., International Journal of Biological Macromolecules, 10.1016/j.ijbiomac.2017.03.102 (2017)

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• Molecular Modeling, Docking, ADMET predictions, molecular dynamic simulation and MTT assay based studies of novel 1, 5 Benzothiazepine skeleton based compounds as anti-cancer agents targeting EGFR kinase domain receptor: CH.M.M.Prasada Rao, Rajendra Prasad Yejella, Rehman S.A, Syed Hussain Basha : In review with Anti-Cancer Agents in Medicinal Chemistry (2017).

 

• A comprehensive Insilico analysis on the structural and functional impact of SNPs in the Congenital Heart Defects associated with NKX2-5 Gene - A Molecular Dynamic Simulation Approach: Firoz Abdul Samad, Bandar A Suliman, Syed Hussain Basha, Manivasagam T, Musthafa Mohamed Essa : PLoS ONE 11(5): e0153999. doi:10.1371/journal.pone.0153999 (2016).

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• Pharmacophore feature-based virtual screening for finding potent GSK-3 inhibitors using molecular docking and dynamics simulations: Navneet Chauhan, Anuradha Gajjar, Syed Hussain Basha, Bioinformation 12(10): 391-395 (2016).

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• Insights from the predicted structural analysis of carborane substituted withaferin A with Indoleamine - 2,3-dioxygenase as a potent inhibitor: Syed Hussain Basha, Abhishek Thakur, Firoz A Samad : Bioinformation 12(9): 374-380 (2016).

 

• Molecular docking based screening of G6PS with 1, 5 Benzothiazepine derivates for a potential inhibitor : Maruthi Malya Prasada Rao Chennu, Rahaman Shaik Abdul, Rajendra Prasad Yejella : Bioinformation 11(12): 525-528 (2015), DOI: 10.6026/97320630011525

 

• Molecular docking and dynamic simulation studies evidenced plausible immuno therapeutic anticancer property by Withaferin A targeting indoleamine 2,3-dioxygenase: S V G Reddy; K.Thammi Reddy; V. Valli Kumari; Syed Hussain Basha: Journal of Biomolecular Structure & Dynamics (2014), DOI: 10.1080/07391102.2015.1004834

 

• Noninvasive Cellular Internalization Of Silver Molecules By Chitosan Nanoneedles: A Novel Nanocarrier :BS Wakure, NM Bhatia, S Hussain Basha: Journal of Biomolecular Structure & Dynamics (2015), DOI:10.1080/07391102.2015.1062803.

 

• Molecular docking based screening of novel designed chalcone series of compounds for their anti-cancer activity targeting EGFR kinase domain: CH.M.M.Prasada Rao, Syed Hussain Basha et al. Bioinformation11.7 (2015): 322. 

 

• Anti-angiogenesis property by Quercetin compound targeting VEGFR2 elucidated in a computational approach : Syed Hussain Basha, Prakash Bethapudi, Majji Rambabu, Firoz. A, N.V.S. Viswanadha murty M, Sreenivasa reddy E: European Journal of Biotechnology and Bioscience 2.6 (2014): 30-46.

 

• Computational repositioning of ethno medicine elucidated gB-gH-gL complex as novel anti herpes drug target : SH Basha, D Talluri, NP Raminni : BMC complementary and alternative medicine 13 (1) (2013), 85.

 

• InSilico screening of Pleconaril and its novel substituted derivatives with Neuraminidase of H1N1 Influenza strain : SH Basha, RN Prasad : BMC research notes 5 (1) (2012), 105.

 

• gB-gH-gL complex, a novel anti herpes drug target elucidated in molecular docking studies : Syed Hussain Basha, K Naresh Kumar, T Deepthi, R Nalini Prasad : 3DSIG 2012: The 8th Structural Bioinformatics and Computational Biophysics Meeting, An ISMB satellite meeting, pp:72.

 

• Ligand and Structure based virtual screening studies to identify potent inhibitors against herpes virus targeting gB-gH-gL complex interface : SH Basha, K Naresh Kumar : Open access scientific reports 1 (12) (2012), 566.

 

• Pleconaril as a Neuraminidase Inhibitor for H1N1 Influenza Strain-ComparativeDocking analysis with Oseltamivir :  SH Basha, M. Nuresh, R. Nalini Prasad : International Journal of Drug Discovery and Technology 1 (2) (2010), 81-86.