Journal of Biomolecular Structure and Dynamics, Volume 41, Issue 16 (2023)

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Journal of Biomolecular Structure and Dynamics, Volume 41, Issue 16 (2023)

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Vol 42, 2024 Volume 41, 2023 Vol 40, 2022 Vol 39, 2021 Vol 38, 2020 Vol 37, 2019 Vol 36, 2018 Vol 35, 2017 Vol 34, 2016 Vol 33, 2015 Vol 32, 2014 Vol 31, 2013 Vol 30, 2012 Vol 29, 2011-2012 Vol 28, 2010-2011 Vol 27, 2009-2010 Vol 26, 2008-2009 Vol 25, 2007-2008 Vol 24, 2006-2007 Vol 23, 2005-2006 Vol 22, 2004-2005 Vol 21, 2003-2004 Vol 20, 2002-2003 Vol 19, 2001-2002 Vol 18, 2000-2001 Vol 17, 1999-2000 Vol 16, 1998-1999 Vol 15, 1997-1998 Vol 14, 1996-1997 Vol 13, 1995-1996 Vol 12, 1994-1995 Vol 11, 1993-1994 Vol 10, 1992-1993 Vol 9, 1991-1992 Vol 8, 1990-1991 Vol 7, 1989-1990 Vol 6, 1988-1989 Vol 5, 1987-1988 Vol 4, 1986-1987 Vol 3, 1985-1986 Vol 2, 1984-1985 Vol 1, 1983-1984
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Research Articles

Article
Gene expression profile analysis unravelled the systems level association of renal cell carcinoma with diabetic nephropathy and Matrix-metalloproteinase-9 as a potential therapeutic target
Aditya Rao, Pavan Gollapalli & Nandini Prasad Shetty
Pages: 7535-7550
Published online: 15 Sep 2022
AbstractforGene expression profile analysis unravelled the systems level association of renal cell carcinoma with diabetic nephropathy and Matrix-metalloproteinase-9 as a potential therapeutic target | Full Text | References | PDF (2.9 MB) | EPUB | Supplemental
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Article
Synthesis, spectroscopic characterization, density functional theory study, antimicrobial and antioxidant activities of curcumin and alanine-curcumin Schiff base
Houdheifa Layaida, Abdelkader Hellal, Nadjib Chafai, Ines Haddadi, Kirouani Imene, Bouchama Anis, ElKolli Mouna, Chawki Bensouici, Widad Sobhi, Ayoub Attoui & Adjissi Lilia
Pages: 7551-7566
Published online: 19 Sep 2022
AbstractforSynthesis, spectroscopic characterization, density functional theory study, antimicrobial and antioxidant activities of curcumin and alanine-curcumin Schiff base | Full Text | References | PDF (2.1 MB) | EPUB | Supplemental
  • 297 Views
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Article
Experimental and computational evaluation of dipeptidyl peptidase III inhibitors based on quinazolinone-Schiff’s bases
Dejan Agić, Maja Karnaš, Sanja Tomić, Mario Komar, Zrinka Karačić, Vesna Rastija, Drago Bešlo, Domagoj Šubarić & Maja Molnar
Pages: 7567-7581
Published online: 15 Sep 2022
AbstractforExperimental and computational evaluation of dipeptidyl peptidase III inhibitors based on quinazolinone-Schiff’s bases | Full Text | References | PDF (2.5 MB) | EPUB | Supplemental
  • 116 Views
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Article
Canonical structural-binding modes in the calmodulin–target protein complexes
Alexander I. Denesyuk, Sergei E. Permyakov, Eugene A. Permyakov, Mark S. Johnson, Konstantin Denessiouk & Vladimir N. Uversky
Pages: 7582-7594
Published online: 15 Sep 2022
AbstractforCanonical structural-binding modes in the calmodulin–target protein complexes | Full Text | References | PDF (2.6 MB) | EPUB | Supplemental
  • 221 Views
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Article
Structural dynamics of chlorpromazine (CPZ) drug with dipalmitoylphosphatidylcholine (DPPC) lipid: a potential drug for SARS-CoV-2
Soni Mishra, Abhishek Kumar Mishra & Ramesh Sharma
Pages: 7595-7602
Published online: 20 Sep 2022
AbstractforStructural dynamics of chlorpromazine (CPZ) drug with dipalmitoylphosphatidylcholine (DPPC) lipid: a potential drug for SARS-CoV-2 | Full Text | References | PDF (1.1 MB) | EPUB | Supplemental
  • 159 Views
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Article
In silico analysis of the conserved surface-exposed epitopes to design novel multiepitope peptide vaccine for all variants of the SARS-CoV-2
Seyed Amir Hossein Mohammadzadeh Hosseini Moghri, Mojtaba Ranjbar, Hadi Hassannia & Fatemeh Khakdan
Pages: 7603-7615
Published online: 20 Sep 2022
AbstractforIn silico analysis of the conserved surface-exposed epitopes to design novel multiepitope peptide vaccine for all variants of the SARS-CoV-2 | Full Text | References | PDF (2.2 MB) | EPUB
  • 199 Views
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Article
A binuclear Cu(I)-phosphine complex as a specific HSA site I binder: synthesis, X-ray structure determination, and a comprehensive HSA interaction analysis
Saba Hadidi
Pages: 7616-7626
Published online: 19 Sep 2022
AbstractforA binuclear Cu(I)-phosphine complex as a specific HSA site I binder: synthesis, X-ray structure determination, and a comprehensive HSA interaction analysis | Full Text | References | PDF (2 MB) | EPUB
  • 64 Views
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Article
Flavonoids as P-glycoprotein inhibitors for multidrug resistance in cancer: an in-silico approach
Amit Kumar, Sourav Kalra, Kailash Jangid & Vikas Jaitak
Pages: 7627-7639
Published online: 19 Sep 2022
AbstractforFlavonoids as P-glycoprotein inhibitors for multidrug resistance in cancer: an in-silico approach | Full Text | References | PDF (2 MB) | EPUB
  • 223 Views
  • 1 CrossRef citations
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Article
Structure-based virtual screening, molecular docking, molecular dynamics simulation and MM/PBSA calculations towards identification of steroidal and non-steroidal selective glucocorticoid receptor modulators
Fateme Zare, Aida Solhjoo, Hossein Sadeghpour, Amirhossein Sakhteman & Ali Dehshahri
Pages: 7640-7650
Published online: 22 Sep 2022
AbstractforStructure-based virtual screening, molecular docking, molecular dynamics simulation and MM/PBSA calculations towards identification of steroidal and non-steroidal selective glucocorticoid receptor modulators | Full Text | References | PDF (1.8 MB) | EPUB
  • 241 Views
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Article
In silico drug repurposing and lipid bilayer molecular dynamics puzzled out potential breast cancer resistance protein (BCRP/ABCG2) inhibitors
Nahlah Makki Almansour, Alaa H. M. Abdelrahman, Ekram Ismail Fagiree & Mahmoud A. A. Ibrahim
Pages: 7651-7664
Published online: 19 Sep 2022
AbstractforIn silico drug repurposing and lipid bilayer molecular dynamics puzzled out potential breast cancer resistance protein (BCRP/ABCG2) inhibitors | Full Text | References | PDF (2.2 MB) | EPUB | Supplemental
  • 342 Views
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Article
Structural communication fingerprinting and dynamic investigation of RBD-hACE2 complex from BA.1 × AY.4 recombinant variant (Deltacron) of SARS-CoV-2 to decipher the structural basis for enhanced transmission
Jiangang Wang, Syeda Fatima Muhammad, Shafaq Aman, Abbas Khan, Sadaf Munir, Mazhar Khan, Anwar Mohammad, Yasir Waheed, Muhammad Munir, Lisha Guo, Lei Chen & Dong-Qing Wei
Pages: 7665-7676
Published online: 21 Sep 2022
AbstractforStructural communication fingerprinting and dynamic investigation of RBD-hACE2 complex from BA.1 × AY.4 recombinant variant (Deltacron) of SARS-CoV-2 to decipher the structural basis for enhanced transmission | Full Text | References | PDF (2.2 MB) | EPUB
  • 201 Views
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Article
Virtual screening of flavonoids from Chamaecrista genus: ADME and pharmacokinetic properties, interactions of flavonoid–DNA complex by molecular docking and molecular dynamics
Ana Paula S. Oliveira, Daniele R. Lima, Lucas L. Bezerra, Norberto K.V. Monteiro, Otília D. Loiola & Maria Goretti V. Silva
Pages: 7677-7685
Published online: 19 Sep 2022
AbstractforVirtual screening of flavonoids from Chamaecrista genus: ADME and pharmacokinetic properties, interactions of flavonoid–DNA complex by molecular docking and molecular dynamics | Full Text | References | PDF (1.3 MB) | EPUB | Supplemental
  • 210 Views
  • 3 CrossRef citations
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Article
In silico approach identified benzoylguanidines as SARS-CoV-2 main protease (Mpro) potential inhibitors
Kaio Maciel de Santiago-Silva, Priscila Camargo, Gabriel Felix da Silva Gomes, Ana Paula Sotero, Alexandre Orsato, Carla Cristina Perez, Gerson Nakazato, Camilo Henrique da Silva Lima & Marcelle Bispo
Pages: 7686-7699
Published online: 20 Sep 2022
AbstractforIn silico approach identified benzoylguanidines as SARS-CoV-2 main protease (Mpro) potential inhibitors | Full Text | References | PDF (2.5 MB) | EPUB | Supplemental
  • 220 Views
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Article
Identification of a potential inhibitor for New Delhi metallo-β-lactamase 1 (NDM-1) from FDA approved chemical library- a drug repurposing approach to combat carbapenem resistance
Shailaja S, Harshitha N, Aneesa Fasim, Sunil S. More & Susweta Das Mitra
Pages: 7700-7711
Published online: 27 Sep 2022
AbstractforIdentification of a potential inhibitor for New Delhi metallo-β-lactamase 1 (NDM-1) from FDA approved chemical library- a drug repurposing approach to combat carbapenem resistance | Full Text | References | PDF (1.9 MB) | EPUB
  • 290 Views
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Article
Pharmacophore-based virtual screening, molecular docking, and molecular dynamics studies for the discovery of novel FLT3 inhibitors
Mebarka Ouassaf, Ossama Daoui, Sarfaraz Alam, Souad Elkhattabi, Salah Belaidi & Samir Chtita
Pages: 7712-7724
Published online: 15 Sep 2022
AbstractforPharmacophore-based virtual screening, molecular docking, and molecular dynamics studies for the discovery of novel FLT3 inhibitors | Full Text | References | PDF (1.8 MB) | EPUB | Supplemental
  • 440 Views
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Article
Phytochemicals from African eggplants (Solanum macrocarpon L) and Black nightshade (Solanum nigrum L) leaves as acetylcholinesterase inhibitors: an in-silico study
Opeyemi Babatunde Ogunsuyi, Folorunsho Bright Omage, Olawande Chinedu Olagoke, Ganiyu Oboh & João Batista Teixeria Rocha
Pages: 7725-7734
Published online: 27 Sep 2022
AbstractforPhytochemicals from African eggplants (Solanum macrocarpon L) and Black nightshade (Solanum nigrum L) leaves as acetylcholinesterase inhibitors: an in-silico study | Full Text | References | PDF (2.1 MB) | EPUB | Supplemental
  • 367 Views
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Article
Comprehensive molecular docking and dynamic simulations for drug repurposing of clinical drugs against multiple cancer kinase targets
Nilofer Shaikh, R. K Linthoi, K. V. Swamy, Muthukumarasamy Karthikeyan & Renu Vyas
Pages: 7735-7743
Published online: 22 Sep 2022
AbstractforComprehensive molecular docking and dynamic simulations for drug repurposing of clinical drugs against multiple cancer kinase targets | Full Text | References | PDF (1.3 MB) | EPUB | Supplemental
  • 488 Views
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Article
Investigation of cannabidiol’s potential targets in limbic seizures. In-silico approach
Olabimpe Olafuyi, Karina Kapusta, Alexander Reed, Wojciech Kolodziejczyk, Julia Saloni & Glake A. Hill
Pages: 7744-7756
Published online: 21 Sep 2022
AbstractforInvestigation of cannabidiol’s potential targets in limbic seizures. In-silico approach | Full Text | References | PDF (4 MB) | EPUB | Supplemental
  • 213 Views
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Article
Insight into molecular interaction between shrimp and white spot syndrome virus through MjsvCL-VP28 complex: an in-silico approach
Kanika Yadav, Arunima Kumar Verma, Sunita Gupta, Ajey Kumar Pathak, Shikha Sharma & Abhishek Awasthi
Pages: 7757-7767
Published online: 19 Sep 2022
AbstractforInsight into molecular interaction between shrimp and white spot syndrome virus through MjsvCL-VP28 complex: an in-silico approach | Full Text | References | PDF (2.3 MB) | EPUB | Supplemental
  • 179 Views
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Article
A computer-aided drug design approach to explore novel type II inhibitors of c-Met receptor tyrosine kinase for cancer therapy: QSAR, molecular docking, ADMET and molecular dynamics simulations
Ossama Daoui, Hassan Nour, Oussama Abchir, Souad Elkhattabi, Mohamed Bakhouch & Samir Chtita
Pages: 7768-7785
Published online: 19 Sep 2022
AbstractforA computer-aided drug design approach to explore novel type II inhibitors of c-Met receptor tyrosine kinase for cancer therapy: QSAR, molecular docking, ADMET and molecular dynamics simulations | Full Text | References | PDF (2.6 MB) | EPUB | Supplemental
  • 632 Views
  • 10 CrossRef citations
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Article
Cytotoxicity and apoptosis induction of the marine Conus flavidus venom in HepG2 cancer cell line
Nourhan A. Magdy, Mohamed S. Nafie, Mohamed S. El-Naggar, Mohamed A. Abu El-Regal, Ahmed Z. Abdel Azeiz, Mohamed A. Abdel-Rahman & Mokhtar El-Zawahry
Pages: 7786-7793
Published online: 21 Sep 2022
AbstractforCytotoxicity and apoptosis induction of the marine Conus flavidus venom in HepG2 cancer cell line | Full Text | References | PDF (1.1 MB) | EPUB
  • 161 Views
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Article
Anti-breast cancer drugs targeting cell-surface glucose-regulated protein 78: a drug repositioning in silico study
Alaa Abu-Mahfouz, Maha Ali & Abdo Elfiky
Pages: 7794-7808
Published online: 21 Sep 2022
AbstractforAnti-breast cancer drugs targeting cell-surface glucose-regulated protein 78: a drug repositioning in silico study | Full Text | References | PDF (2.7 MB) | EPUB | Supplemental
  • 215 Views
  • 3 CrossRef citations
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Article
A molecular docking-based comparative assessment of various anticholinergic drugs as antidotes to different nerve agent poisoning
Bishwajit Das & Durjoy Majumder
Pages: 7809-7820
Published online: 24 Sep 2022
AbstractforA molecular docking-based comparative assessment of various anticholinergic drugs as antidotes to different nerve agent poisoning | Full Text | References | PDF (2.6 MB) | EPUB
  • 193 Views
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Article
An integrative reverse vaccinology, immunoinformatic, docking and simulation approaches towards designing of multi-epitopes based vaccine against monkeypox virus
Asad Ullah, Farah Ali Shahid, Mahboob Ul Haq, Muhammad Tahir ul Qamar, Muhammad Irfan, Bilal Shaker, Sajjad Ahmad, Faris Alrumaihi, Khaled S. Allemailem & Ahmad Almatroudi
Pages: 7821-7834
Published online: 21 Sep 2022
AbstractforAn integrative reverse vaccinology, immunoinformatic, docking and simulation approaches towards designing of multi-epitopes based vaccine against monkeypox virus | Full Text | References | PDF (2 MB) | EPUB | Supplemental
  • 1490 Views
  • 11 CrossRef citations
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Article
Flavonoids as promising anticancer agents: an in silico investigation of ADMET, binding affinity by molecular docking and molecular dynamics simulations
Avadh Biharee, Arpita Yadav, Kailash Jangid, Yogesh Singh, Swanand Kulkarni, Devesh M. Sawant, Pradeep Kumar, Suresh Thareja & Akhlesh Kumar Jain
Pages: 7835-7846
Published online: 27 Sep 2022
AbstractforFlavonoids as promising anticancer agents: an in silico investigation of ADMET, binding affinity by molecular docking and molecular dynamics simulations | Full Text | References | PDF (2.2 MB) | EPUB | Supplemental
  • 385 Views
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Article
Designing new drug candidates as inhibitors against wild and mutant type neuraminidases: molecular docking, molecular dynamics and binding free energy calculations
Murat Kurt, Selami Ercan & Necmettin Pirinccioglu
Pages: 7847-7861
Published online: 24 Sep 2022
AbstractforDesigning new drug candidates as inhibitors against wild and mutant type neuraminidases: molecular docking, molecular dynamics and binding free energy calculations | Full Text | References | PDF (4.3 MB) | EPUB | Supplemental
  • 614 Views
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Article
Assessment on binding characteristics of ethiprole and a model protein bovine serum albumin (BSA) through various spectroscopic techniques integrated with computer simulation
Shao-Liang Jiang, Lu Hu, Meng Wu, Li Li & Jie-Hua Shi
Pages: 7862-7873
Published online: 24 Sep 2022
AbstractforAssessment on binding characteristics of ethiprole and a model protein bovine serum albumin (BSA) through various spectroscopic techniques integrated with computer simulation | Full Text | References | PDF (2.1 MB) | EPUB
  • 127 Views
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Article
In silico screening of the phytochemicals present in Clitoria ternatea L. as the inhibitors of snake venom phospholipase A2 (PLA2)
Suveena S.Saraswathy V.Junaida M. I.Vinod M. P.Laladhas K. P.Achuthsankar S. Nair, Sudhakaran P. R.Oommen V. Oommen
Pages: 7874-7883
Published online: 24 Sep 2022
AbstractforIn silico screening of the phytochemicals present in Clitoria ternatea L. as the inhibitors of snake venom phospholipase A2 (PLA2) | Full Text | References | PDF (1.2 MB) | EPUB | Supplemental
  • 154 Views
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Article
Modulation of the structural and functional properties of α1-antitrypsin by interaction with flavonoid luteolin
Nicoleta Cazacu & Claudia G. Chilom
Pages: 7884-7891
Published online: 02 Oct 2022
AbstractforModulation of the structural and functional properties of α1-antitrypsin by interaction with flavonoid luteolin | Full Text | References | PDF (1.2 MB) | EPUB
  • 92 Views
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Article
A comprehensive computational approach for the identification of structure-based potential pharmacological candidates as selective AKR1B1 and AKR1B10 inhibitors: repurposing of purine alkaloids for the treatment of cancer
Mubashir Aziz, Syeda Abida Ejaz, Nissren Tamam & Farhan Siddique
Pages: 7892-7912
Published online: 10 Oct 2022
AbstractforA comprehensive computational approach for the identification of structure-based potential pharmacological candidates as selective AKR1B1 and AKR1B10 inhibitors: repurposing of purine alkaloids for the treatment of cancer | Full Text | References | PDF (4.3 MB) | EPUB | Supplemental
  • 272 Views
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Article
Identification of prospective covalent inhibitors for SARS-CoV-2 main protease using structure-based approach
Shenvi Kudchadker Gayatri, Vaishnavi Chhabra, Harish Kumar & M. Elizabeth Sobhia
Pages: 7913-7930
Published online: 06 Oct 2022
AbstractforIdentification of prospective covalent inhibitors for SARS-CoV-2 main protease using structure-based approach | Full Text | References | PDF (2.4 MB) | EPUB
  • 142 Views
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Article
Drug repurposing and sequence analysis in S-glycoprotein variants reveals critical signature patterns and destabilization of receptor-binding domain in omicron variant
Devang Haresh Liya, Nithishwer Mouroug Anand, Ashwin Kumar Jainarayanan, Mirudula Elanchezhian, Madhumati Seetharaman, Dhanuush Balakannan & Arpit Kumar Pradhan
Pages: 7931-7948
Published online: 29 Sep 2022
AbstractforDrug repurposing and sequence analysis in S-glycoprotein variants reveals critical signature patterns and destabilization of receptor-binding domain in omicron variant | Full Text | References | PDF (3.7 MB) | EPUB | Supplemental
  • 240 Views
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Article
Expediting the drug discovery for ideal leads against SARS-CoV-2 via molecular docking of repurposed drugs
Akanksha Sharma, Mandeep Kaur, Priya Yadav, Gurpal Singh & Ravi Pratap Barnwal
Pages: 7949-7965
Published online: 27 Sep 2022
AbstractforExpediting the drug discovery for ideal leads against SARS-CoV-2 via molecular docking of repurposed drugs | Full Text | References | PDF (3.2 MB) | EPUB | Supplemental
  • 236 Views
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Article
Computational prediction and analysis of targeting 17-beta-hydroxysteroid dehydrogenase (17-beta-HSD1) with natural products for colorectal cancer treatment
Aweke Mulu Belachew, Rakesh Kumar Bachheti, Araya Kahsay Weldekidan & Mulugeta Gajaa Ufgaa
Pages: 7966-7974
Published online: 13 Oct 2022
AbstractforComputational prediction and analysis of targeting 17-beta-hydroxysteroid dehydrogenase (17-beta-HSD1) with natural products for colorectal cancer treatment | Full Text | References | PDF (1.4 MB) | EPUB | Supplemental
  • 164 Views
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Article
Synthesis of 4-hydroxy-L-proline derivatives as new non-classical inhibitors of human carbonic anhydrase II activity: an in vitro study
Leila Moghoufei, Masomeh Mehrabi, Hadi Adibi & Reza Khodarahmi
Pages: 7975-7985
Published online: 27 Sep 2022
AbstractforSynthesis of 4-hydroxy-L-proline derivatives as new non-classical inhibitors of human carbonic anhydrase II activity: an in vitro study | Full Text | References | PDF (2.2 MB) | EPUB | Supplemental
  • 171 Views
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Article
In silico, in vitro VEGFR-2 inhibition, and anticancer activity of a 3-(hydrazonomethyl)naphthalene-2-ol derivative
Eslam B. Elkaeed, Reda G. Yousef, Hazem Elkady, Ahmed B. M. Mehany, Bshra A. Alsfouk, Dalal Z. Husein, Ibrahim M. Ibrahim, Ahmed M. Metwaly & Ibrahim H. Eissa
Pages: 7986-8001
Published online: 02 Oct 2022
AbstractforIn silico, in vitro VEGFR-2 inhibition, and anticancer activity of a 3-(hydrazonomethyl)naphthalene-2-ol derivative | Full Text | References | PDF (3.1 MB) | EPUB | Supplemental
  • 330 Views
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Article
Comprehensive analysis predicting effects of deleterious SNPs of human progesterone receptor gene on its structure and functions: a computational approach
M Mahbub Hasan, AHM Nurun Nabi & Tahirah Yasmin
Pages: 8002-8017
Published online: 27 Sep 2022
AbstractforComprehensive analysis predicting effects of deleterious SNPs of human progesterone receptor gene on its structure and functions: a computational approach | Full Text | References | PDF (2 MB) | EPUB | Supplemental
  • 240 Views
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Article
NADP/H binding nearly doubles the stability of a Mycobacterium drug target: an unfolding study
Saif Khan, Mahvish Khan, Mohtashim Lohani, Saheem Ahmad, Subuhi Sherwani, Sundeep Bhagwath, Mohd Wajid A. Khan, Mohd Wahid, Farrukh Aqil & Shafiul Haque
Pages: 8018-8025
Published online: 27 Sep 2022
AbstractforNADP/H binding nearly doubles the stability of a Mycobacterium drug target: an unfolding study | Full Text | References | PDF (1.2 MB) | EPUB
  • 85 Views
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Article
Designing dual inhibitors against potential drug targets of Plasmodium falciparum -M17 Leucyl Aminopeptidase and Plasmepsins
Govinda Rao Dabburu, Aakriti Jain, Naidu Subbarao & Manish Kumar
Pages: 8026-8041
Published online: 10 Oct 2022
AbstractforDesigning dual inhibitors against potential drug targets of Plasmodium falciparum -M17 Leucyl Aminopeptidase and Plasmepsins | Full Text | References | PDF (2.4 MB) | EPUB | Supplemental
  • 237 Views
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Article
Desmodin and isopongachromene as potential inhibitors of cyclin-dependent kinase 5: phytoconstituents targeting anticancer and neurological therapy
Akhtar Atiya, Shivani Batra, Taj Mohammad, Nasser M. Alorfi, Waleed Al Abdulmonem, Fahad A. Alhumaydhi, Ghulam Md Ashraf, Saleh S. Baeesa, Abdelbaset Mohamed Elasbali & Moyad Shahwan
Pages: 8042-8052
Published online: 02 Oct 2022
AbstractforDesmodin and isopongachromene as potential inhibitors of cyclin-dependent kinase 5: phytoconstituents targeting anticancer and neurological therapy | Full Text | References | PDF (1.5 MB) | EPUB
  • 252 Views
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Article
New lead compounds identification against KRas mediated cancers through pharmacophore-based virtual screening and in vitro assays
Mehreen Ghufran, Ashfaq Ur Rehman, Muhammad Ayaz, Zaheer ul-Haq, Reaz Uddin, Syed Sikander Azam & Abdul Wadood
Pages: 8053-8067
Published online: 02 Oct 2022
AbstractforNew lead compounds identification against KRas mediated cancers through pharmacophore-based virtual screening and in vitro assays | Full Text | References | PDF (2.2 MB) | EPUB | Supplemental
  • 389 Views
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Article
Hydroxyalkynyl uracil derivatives as NNRTIs against HIV-1: in silico predictions, synthesis, docking and molecular dynamics simulation studies
Madhu Yadav, Ritika Srivastava, Farha Naaz, Parth Sarthi Sen Gupta, Saroj Kumar Panda, Malay Kumar Rana & Ramendra K. Singh
Pages: 8068-8080
Published online: 13 Oct 2022
AbstractforHydroxyalkynyl uracil derivatives as NNRTIs against HIV-1: in silico predictions, synthesis, docking and molecular dynamics simulation studies | Full Text | References | PDF (2 MB) | EPUB
  • 167 Views
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Rapid Communication

Rapid Communication
Bioinformatic analysis of SIRT7 sequence and structure
Francisco Alejandro Lagunas-Rangel
Pages: 8081-8091
Published online: 23 Sep 2022
AbstractforBioinformatic analysis of SIRT7 sequence and structure | Full Text | References | PDF (2.5 MB) | EPUB | Supplemental
  • 1756 Views
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