Search Results - "Azam SS"

Discovery of novel inhibitor via molecular dynamics simulations against D-alanyl-D-alanine carboxypeptidase of Enterobacter cloacae.

Authors: Ahmad F Ismail S Azam SS

Source: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2025 Aug; Vol. 43 (13), pp. 6816-6831. Date of Electronic Publication: 2024 Feb 20.

Publication Type: Journal Article

Journal Info: Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1538-0254 (Electronic) Linking ISSN: 07391102 NLM ISO Abbreviation: J Biomol Struct Dyn Subsets: MEDLINE

Design, Synthesis, and Evaluation of β‑Lactamase Inhibitors as Potential Therapeutics for Antimicrobial Resistance.

Authors: Batool S Farid R Azam SS et al.

Source: ACS omega [ACS Omega] 2025 Dec 01; Vol. 10 (49), pp. 61032-61047. Date of Electronic Publication: 2025 Dec 01 (Print Publication: 2025).

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101691658 Publication Model: eCollection Cited Medium: Internet ISSN: 2470-1343 (Electronic) Linking ISSN: 24701343 NLM ISO Abbreviation: ACS Omega Subsets: PubMed not MEDLINE

Molecular insights into pangenome localization and constructs design for Hemophilus influenza vaccine.

Authors: Zaman N Gul K Khurram K et al.

Source: Scientific reports [Sci Rep] 2025 Jul 01; Vol. 15 (1), pp. 22316. Date of Electronic Publication: 2025 Jul 01.

Publication Type: Journal Article

Journal Info: Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN: 2045-2322 (Electronic) Linking ISSN: 20452322 NLM ISO Abbreviation: Sci Rep Subsets: MEDLINE

New lead compounds identification against KRas mediated cancers through pharmacophore-based virtual screening and in vitro assays.

Authors: Ghufran M Rehman AU Ayaz M et al.

Source: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2023 Sep-Oct; Vol. 41 (16), pp. 8053-8067. Date of Electronic Publication: 2022 Oct 02.

Publication Type: Journal Article

Journal Info: Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1538-0254 (Electronic) Linking ISSN: 07391102 NLM ISO Abbreviation: J Biomol Struct Dyn Subsets: MEDLINE; PubMed not MEDLINE

Deciphering the relational dynamics of AF-2 domain of PAN PPAR through drug repurposing and comparative simulations.

Authors: Gul F Parvaiz N Azam SS

Source: PloS one [PLoS One] 2023 Mar 31; Vol. 18 (3), pp. e0283743. Date of Electronic Publication: 2023 Mar 31 (Print Publication: 2023).

Publication Type: Clinical Trial; Journal Article

Journal Info: Publisher: Public Library of Science Country of Publication: United States NLM ID: 101285081 Publication Model: eCollection Cited Medium: Internet ISSN: 1932-6203 (Electronic) Linking ISSN: 19326203 NLM ISO Abbreviation: PLoS One Subsets: MEDLINE

In Silico and In Vitro Study of Janus Kinases Inhibitors from Naphthoquinones.

Authors: Sanachai K Mahalapbutr P Tabtimmai L et al.

Source: Molecules (Basel, Switzerland) [Molecules] 2023 Jan 06; Vol. 28 (2). Date of Electronic Publication: 2023 Jan 06.

Publication Type: Journal Article

Journal Info: Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049 (Electronic) Linking ISSN: 14203049 NLM ISO Abbreviation: Molecules Subsets: MEDLINE

Recursive dynamics of GspE through machine learning enabled identification of inhibitors.

Authors: Naz A Gul F Azam SS

Source: Computational biology and chemistry [Comput Biol Chem] 2024 Dec; Vol. 113, pp. 108217. Date of Electronic Publication: 2024 Sep 28.

Publication Type: Journal Article

Journal Info: Publisher: Elsevier Country of Publication: England NLM ID: 101157394 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1476-928X (Electronic) Linking ISSN: 14769271 NLM ISO Abbreviation: Comput Biol Chem Subsets: MEDLINE

Senna makki and other active phytochemicals: Myths and realities behind covid19 therapeutic interventions.

Authors: Zaman N Parvaiz N Farid R et al.

Source: PloS one [PLoS One] 2022 Jun 14; Vol. 17 (6), pp. e0268454. Date of Electronic Publication: 2022 Jun 14 (Print Publication: 2022).

Publication Type: Journal Article

Journal Info: Publisher: Public Library of Science Country of Publication: United States NLM ID: 101285081 Publication Model: eCollection Cited Medium: Internet ISSN: 1932-6203 (Electronic) Linking ISSN: 19326203 NLM ISO Abbreviation: PLoS One Subsets: MEDLINE

Structural characterization and antileishmanial activity of newly synthesized organo-bismuth(V) carboxylates: experimental and molecular docking studies.

Authors: Andleeb S Imtiaz-Ud-Din Rauf MK et al.

Source: Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry [J Biol Inorg Chem] 2022 Feb; Vol. 27 (1), pp. 175-187. Date of Electronic Publication: 2022 Jan 04.

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

Journal Info: Publisher: Springer Country of Publication: Germany NLM ID: 9616326 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1432-1327 (Electronic) Linking ISSN: 09498257 NLM ISO Abbreviation: J Biol Inorg Chem Subsets: MEDLINE

Three-state dynamics of zinc(II) complexes yielding significant antidiabetic targets.

Authors: Parvaiz N Abro A Azam SS

Source: Journal of molecular graphics & modelling [J Mol Graph Model] 2024 Mar; Vol. 127, pp. 108665. Date of Electronic Publication: 2023 Nov 02.

Publication Type: Journal Article

Journal Info: Publisher: Elsevier Science, Inc Country of Publication: United States NLM ID: 9716237 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-4243 (Electronic) Linking ISSN: 10933263 NLM ISO Abbreviation: J Mol Graph Model Subsets: MEDLINE

From normal to competo-allosteric regulation: insights into the binding pattern dynamics of DSPI protein of Pseudomonas aeruginosa.

Authors: Zaman N Azam SS

Source: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2021 Feb; Vol. 39 (2), pp. 538-557. Date of Electronic Publication: 2020 Jan 21.

Publication Type: Journal Article

Journal Info: Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1538-0254 (Electronic) Linking ISSN: 07391102 NLM ISO Abbreviation: J Biomol Struct Dyn Subsets: MEDLINE

Discovery of beta-lactamase CMY-10 inhibitors for combination therapy against multi-drug resistant Enterobacteriaceae.

Authors: Parvaiz N Ahmad F Yu W et al.

Source: PloS one [PLoS One] 2021 Jan 15; Vol. 16 (1), pp. e0244967. Date of Electronic Publication: 2021 Jan 15 (Print Publication: 2021).

Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't

Journal Info: Publisher: Public Library of Science Country of Publication: United States NLM ID: 101285081 Publication Model: eCollection Cited Medium: Internet ISSN: 1932-6203 (Electronic) Linking ISSN: 19326203 NLM ISO Abbreviation: PLoS One Subsets: MEDLINE

Dynamics of water-mediated interaction effects on the stability and transmission of Omicron.

Authors: Zaman N Parvaiz N Gul F et al.

Source: Scientific reports [Sci Rep] 2023 Nov 28; Vol. 13 (1), pp. 20894. Date of Electronic Publication: 2023 Nov 28.

Publication Type: Journal Article

Journal Info: Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN: 2045-2322 (Electronic) Linking ISSN: 20452322 NLM ISO Abbreviation: Sci Rep Subsets: MEDLINE

Non-β Lactam Inhibitors of the Serine β-Lactamase blaCTX-M15 in Drug-Resistant Salmonella typhi.

Authors: Ahmad F Parvaiz N MacKerell AD Jr et al.

Source: Journal of chemical information and modeling [J Chem Inf Model] 2023 Nov 13; Vol. 63 (21), pp. 6681-6695. Date of Electronic Publication: 2023 Oct 17.

Publication Type: Journal Article; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S.; Research Support, N.I.H., Extramural

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE

Insight into natural inhibitors and bridging docking to dynamic simulation against sugar Isomerase (SIS) domain protein.

Authors: Ahmad F Shabaz Z Azam SS

Source: Journal of molecular modeling [J Mol Model] 2020 Aug 03; Vol. 26 (8), pp. 221. Date of Electronic Publication: 2020 Aug 03.

Publication Type: Journal Article

Journal Info: Publisher: Springer Country of Publication: Germany NLM ID: 9806569 Publication Model: Electronic Cited Medium: Internet ISSN: 0948-5023 (Electronic) Linking ISSN: 09485023 NLM ISO Abbreviation: J Mol Model Subsets: MEDLINE

Proteome-wide subtractive approach to prioritize a hypothetical protein of XDR-Mycobacterium tuberculosis as potential drug target.

Authors: Uddin R Siddiqui QN Sufian M et al.

Source: Genes & genomics [Genes Genomics] 2019 Nov; Vol. 41 (11), pp. 1281-1292. Date of Electronic Publication: 2019 Aug 06.

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

Journal Info: Publisher: The Korean Society of Genetics Country of Publication: Korea (South) NLM ID: 101481027 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2092-9293 (Electronic) Linking ISSN: 19769571 NLM ISO Abbreviation: Genes Genomics Subsets: MEDLINE

Subtractive Genomics, Molecular Docking and Molecular Dynamics Simulation Revealed LpxC as a Potential Drug Target Against Multi-Drug Resistant Klebsiella pneumoniae.

Authors: Ahmad S Navid A Akhtar AS et al.

Source: Interdisciplinary sciences, computational life sciences [Interdiscip Sci] 2019 Sep; Vol. 11 (3), pp. 508-526. Date of Electronic Publication: 2018 May 02.

Publication Type: Journal Article

Journal Info: Publisher: Springer-Verlag Country of Publication: Germany NLM ID: 101515919 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1867-1462 (Electronic) Linking ISSN: 18671462 NLM ISO Abbreviation: Interdiscip Sci Subsets: MEDLINE

Immunoinformatic and reverse vaccinology-based designing of potent multi-epitope vaccine against Marburgvirus targeting the glycoprotein.

Authors: Yousaf H Naz A Zaman N et al.

Source: Heliyon [Heliyon] 2023 Jul 17; Vol. 9 (8), pp. e18059. Date of Electronic Publication: 2023 Jul 17 (Print Publication: 2023).

Publication Type: Journal Article

Journal Info: Publisher: Elsevier Ltd Country of Publication: England NLM ID: 101672560 Publication Model: eCollection Cited Medium: Print ISSN: 2405-8440 (Print) Linking ISSN: 24058440 NLM ISO Abbreviation: Heliyon Subsets: PubMed not MEDLINE

Discrete Dynamics of Warhead Modulation on Covalent Inhibition of Oxyr: A QM/MM Study.

Authors: Zaman N Azam SS

Source: The journal of physical chemistry. B [J Phys Chem B] 2023 Jul 13; Vol. 127 (27), pp. 5993-6005. Date of Electronic Publication: 2023 Jun 28.

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101157530 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5207 (Electronic) Linking ISSN: 15205207 NLM ISO Abbreviation: J Phys Chem B Subsets: MEDLINE

Role of hinge motion and ATP dynamics in factors for inversion stimulation FIS protein deduced while targeting drug resistant Orientia tsutsugamushi.

Authors: Parvaiz N Shahbaz M Azam SS

Source: Journal of molecular graphics & modelling [J Mol Graph Model] 2023 May; Vol. 120, pp. 108425. Date of Electronic Publication: 2023 Feb 06.

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

Journal Info: Publisher: Elsevier Science, Inc Country of Publication: United States NLM ID: 9716237 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-4243 (Electronic) Linking ISSN: 10933263 NLM ISO Abbreviation: J Mol Graph Model Subsets: MEDLINE